KSX
概要
| 表記: | 2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide |
| 組成式: | C14 H12 N4 O |
| 電荷: | 0 |
| 化学式量: | 252.271 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-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(5-cyanopyridin-3-yl)-~{N}-(4-methylpyridin-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 | O=C(Nc1cnccc1C)Cc1cc(C#N)cnc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H12N4O/c1-10-2-3-16-9-13(10)18-14(19)5-11-4-12(6-15)8-17-7-11/h2-4,7-9H,5H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.06 | MAYMKKDCBJTHBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cncc(c2)C#N |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cncc(c2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cnc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cnc2)C#N |
