A1BGT
Summary
| Name: | N-(3-methylpyridin-4-yl)-2-oxo-1-{[(3R)-pyrrolidin-3-yl]methyl}-1,2-dihydropyridine-3-carboxamide |
| Formula: | C17 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 312.366 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(3-methylpyridin-4-yl)-2-oxo-1-{[(3R)-pyrrolidin-3-yl]methyl}-1,2-dihydropyridine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(3-methylpyridin-4-yl)-2-oxidanylidene-1-[[(3~{R})-pyrrolidin-3-yl]methyl]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1cnccc1NC(=O)C1=CC=CN(CC2CNCC2)C1=O |
| InChI | InChI | 1.06 | InChI=1S/C17H20N4O2/c1-12-9-18-7-5-15(12)20-16(22)14-3-2-8-21(17(14)23)11-13-4-6-19-10-13/h2-3,5,7-9,13,19H,4,6,10-11H2,1H3,(H,18,20,22)/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | BAEXPXCEECSBTP-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnccc1NC(=O)C2=CC=CN(C[C@@H]3CCNC3)C2=O |
| SMILES | CACTVS | 3.385 | Cc1cnccc1NC(=O)C2=CC=CN(C[CH]3CCNC3)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cnccc1NC(=O)C2=CC=CN(C2=O)C[C@@H]3CCNC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cnccc1NC(=O)C2=CC=CN(C2=O)CC3CCNC3 |
