58G
Summary
| Name: | 6-{[(1R,3S)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide |
| Formula: | C17 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 281.352 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-{[(1R,3S)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 6-[[(1R,3S)-3-phenylcyclopentyl]amino]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1)C2CCC(C2)Nc3ccc(cn3)C(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H19N3O/c18-17(21)14-7-9-16(19-11-14)20-15-8-6-13(10-15)12-4-2-1-3-5-12/h1-5,7,9,11,13,15H,6,8,10H2,(H2,18,21)(H,19,20)/t13-,15+/m0/s1 |
| InChIKey | InChI | 1.03 | JBSAILAEEJVXKB-DZGCQCFKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(N[C@@H]2CC[C@@H](C2)c3ccccc3)nc1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(N[CH]2CC[CH](C2)c3ccccc3)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)[C@H]2CC[C@H](C2)Nc3ccc(cn3)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C2CCC(C2)Nc3ccc(cn3)C(=O)N |
