UGM
概要
| 表記: | 2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide |
| 組成式: | C13 H10 N4 O |
| 電荷: | 0 |
| 化学式量: | 238.245 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(5-cyanopyridin-3-yl)-~{N}-pyridin-3-yl-ethanamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N#Cc1cncc(c1)CC(=O)Nc2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H10N4O/c14-6-11-4-10(7-16-8-11)5-13(18)17-12-2-1-3-15-9-12/h1-4,7-9H,5H2,(H,17,18) |
| InChIKey | InChI | 1.03 | DQOFNGNCBXHENB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1cncc(c1)C#N)Nc2cccnc2 |
| SMILES | CACTVS | 3.385 | O=C(Cc1cncc(c1)C#N)Nc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N |
