4H3
Summary
| Name: | 6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide |
| Formula: | C12 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 251.282 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 6-[[(1R,3R,4S)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]amino]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cnc(c1)NC2CC(C(C2)O)CO)C(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H17N3O3/c13-12(18)7-1-2-11(14-5-7)15-9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H2,13,18)(H,14,15)/t8-,9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | OOPBXYPWRQVSFZ-BBBLOLIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(N[C@H]2C[C@H](O)[C@@H](CO)C2)nc1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(N[CH]2C[CH](O)[CH](CO)C2)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ncc1C(=O)N)N[C@@H]2C[C@@H]([C@H](C2)O)CO |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ncc1C(=O)N)NC2CC(C(C2)O)CO |
