EFW
Summary
| Name: | 6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide |
| Formula: | C11 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 221.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 6-[[(1R,3R)-3-oxidanylcyclopentyl]amino]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c2cnc(NC1CC(O)CC1)cc2)N |
| InChI | InChI | 1.03 | InChI=1S/C11H15N3O2/c12-11(16)7-1-4-10(13-6-7)14-8-2-3-9(15)5-8/h1,4,6,8-9,15H,2-3,5H2,(H2,12,16)(H,13,14)/t8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | PLJXPUZSPCVRPI-RKDXNWHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1ccc(N[C@@H]2CC[C@@H](O)C2)nc1 |
| SMILES | CACTVS | 3.370 | NC(=O)c1ccc(N[CH]2CC[CH](O)C2)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1C(=O)N)N[C@@H]2CC[C@H](C2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1C(=O)N)NC2CCC(C2)O |
