4GN
Summary
| Name: | 6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide |
| Formula: | C12 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 219.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 6-(cyclopentylmethylamino)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cnc(c1)NCC2CCCC2)C(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H17N3O/c13-12(16)10-5-6-11(15-8-10)14-7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,13,16)(H,14,15) |
| InChIKey | InChI | 1.03 | KSUTVZCNRWWYFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(NCC2CCCC2)nc1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(NCC2CCCC2)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ncc1C(=O)N)NCC2CCCC2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ncc1C(=O)N)NCC2CCCC2 |
