A1MC9
Summary
| Name: | 2-[2-[(3~{S})-3-(1,3-thiazol-2-ylcarbamoyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide |
| Formula: | C17 H21 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 359.446 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-[(3~{S})-3-(1,3-thiazol-2-ylcarbamoyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H21N5O2S/c18-15(23)12-3-5-19-14(10-12)4-8-22-7-1-2-13(11-22)16(24)21-17-20-6-9-25-17/h3,5-6,9-10,13H,1-2,4,7-8,11H2,(H2,18,23)(H,20,21,24)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | CIGFTHKRBSLHEK-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccnc(CCN2CCC[C@@H](C2)C(=O)Nc3sccn3)c1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccnc(CCN2CCC[CH](C2)C(=O)Nc3sccn3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1C(=O)N)CCN2CCC[C@@H](C2)C(=O)Nc3nccs3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1C(=O)N)CCN2CCCC(C2)C(=O)Nc3nccs3 |
