MF0
概要
| 表記: | (2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide |
| 組成式: | C14 H14 Cl N3 O |
| 電荷: | 0 |
| 化学式量: | 275.733 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 | (2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(5-chloranylpyridin-3-yl)-~{N}-(4-methylpyridin-3-yl)propanamide |
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)C(C)c1cc(Cl)cnc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H14ClN3O/c1-9-3-4-16-8-13(9)18-14(19)10(2)11-5-12(15)7-17-6-11/h3-8,10H,1-2H3,(H,18,19)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | SEFKQYGCOOMXHK-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C(=O)Nc1cnccc1C)c2cncc(Cl)c2 |
| SMILES | CACTVS | 3.385 | C[CH](C(=O)Nc1cnccc1C)c2cncc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@H](C)c2cc(cnc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(C)c2cc(cnc2)Cl |
