A1BG9
Summary
| Name: | 4-methyl-2-[(3S)-piperidin-3-yl]-N-(pyridin-2-yl)-1H-imidazole-5-carboxamide |
| Formula: | C15 H19 N5 O |
| Formal charge: | 0 |
| Formula weight: | 285.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-methyl-2-[(3S)-piperidin-3-yl]-N-(pyridin-2-yl)-1H-imidazole-5-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 4-methyl-2-[(3~{S})-piperidin-3-yl]-~{N}-pyridin-2-yl-1~{H}-imidazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1nc([NH]c1C(=O)Nc1ccccn1)C1CCCNC1 |
| InChI | InChI | 1.06 | InChI=1S/C15H19N5O/c1-10-13(15(21)19-12-6-2-3-8-17-12)20-14(18-10)11-5-4-7-16-9-11/h2-3,6,8,11,16H,4-5,7,9H2,1H3,(H,18,20)(H,17,19,21)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | XCVYJDDLPGWFGF-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc([nH]c1C(=O)Nc2ccccn2)[C@H]3CCCNC3 |
| SMILES | CACTVS | 3.385 | Cc1nc([nH]c1C(=O)Nc2ccccn2)[CH]3CCCNC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c([nH]c(n1)[C@H]2CCCNC2)C(=O)Nc3ccccn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c([nH]c(n1)C2CCCNC2)C(=O)Nc3ccccn3 |
