CAS号:--- - N-[(1R,2R,5S)-5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-hydroxycyclohexyl]pyridine-3-carboxamide-科华智慧

1. 主信息

英文名:	N-[(1R,2R,5S)-5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-hydroxycyclohexyl]pyridine-3-carboxamide
中文名:	-
CAS编号:	-
化学分子式：	C₁₆H₂₁N₅O₂
化学分子量：	315.37 g/mol
SMILES：	CC1=NN(C(=N1)[C@H]2CC[C@H]([C@@H](C2)NC(=O)C3=CN=CC=C3)O)C
来源：	-
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商

包装规格

含量

价格(元)

环境要求

货期

说明

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 44 46 0 1 0 0 0 0 0999 V2000 -0.2616 -2.0754 2.3386 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 1.5862 0.1956 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 -0.7274 0.0759 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 0.3337 -0.9192 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 1.0848 0.4395 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7081 1.4313 -0.2404 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7336 1.4637 0.2016 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2374 -0.9958 -0.9731 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0215 -0.8439 0.2809 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7128 -0.7558 -1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 -2.1367 1.0326 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 -2.3067 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8164 -2.3309 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0942 0.1655 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 0.4966 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7039 1.8714 0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 -0.3665 -1.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5687 0.4444 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7975 3.0450 1.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1664 -0.6147 -0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 1.4496 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5470 -0.6361 -0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2788 0.4177 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5597 -1.1747 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 0.0056 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5204 0.2194 -1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -1.5059 -1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 -2.9980 0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 -2.4673 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1308 -3.1517 -0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0206 -3.2861 1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -1.5605 1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -1.5904 -0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0476 -2.9093 2.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 -0.1756 -2.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1499 -1.4347 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -0.0045 -1.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 2.9251 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8644 3.2039 1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 3.9451 0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5915 -1.4254 -1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9879 2.3024 0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0343 -1.4478 -1.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3584 0.4494 -0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 34 1 0 0 0 0 2 15 2 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 33 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 14 2 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 7 21 1 0 0 0 0 7 23 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

N-[(1R,2R,5S)-5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-hydroxycyclohexyl]pyridine-3-carboxamide

4.2 InChl

InChI=1S/C16H21N5O2/c1-10-18-15(21(2)20-10)11-5-6-14(22)13(8-11)19-16(23)12-4-3-7-17-9-12/h3-4,7,9,11,13-14,22H,5-6,8H2,1-2H3,(H,19,23)/t11-,13+,14+/m0/s1

4.3 InChlKey

FYQUIZFAQKRZRN-IACUBPJLSA-N

4.4 Canonical SMILES

CC1=NN(C(=N1)[C@H]2CC[C@H]([C@@H](C2)NC(=O)C3=CN=CC=C3)O)C

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型