L5I
概要
| 表記: | (2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide |
| 組成式: | C13 H18 N2 O |
| 電荷: | 0 |
| 化学式量: | 218.295 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)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3-cyclopropyl-2-methyl-~{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)CC1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H18N2O/c1-9-5-6-14-8-12(9)15-13(16)10(2)7-11-3-4-11/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,16)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | SRXLGHBNKKQZHE-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CC1CC1)C(=O)Nc2cnccc2C |
| SMILES | CACTVS | 3.385 | C[CH](CC1CC1)C(=O)Nc2cnccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@H](C)CC2CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(C)CC2CC2 |
