KJI
概要
| 表記: | N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide |
| 組成式: | C17 H16 N4 O |
| 電荷: | 0 |
| 化学式量: | 292.335 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 | N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-methylpyridin-3-yl)-2-(quinolin-4-ylamino)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)CNc1ccnc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C17H16N4O/c1-12-6-8-18-10-16(12)21-17(22)11-20-15-7-9-19-14-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,19,20)(H,21,22) |
| InChIKey | InChI | 1.06 | OZRCAPIRQWCXDS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)CNc2ccnc3ccccc23 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)CNc2ccnc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CNc2ccnc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CNc2ccnc3c2cccc3 |
