A1BN4
Summary
| Name: | (3S)-1-[(2-hydroxypyridin-3-yl)acetyl]piperidine-3-carboxamide |
| Formula: | C13 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 263.292 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2-hydroxypyridin-3-yl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[2-(2-oxidanylpyridin-3-yl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1cccnc1O)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H17N3O3/c14-12(18)10-4-2-6-16(8-10)11(17)7-9-3-1-5-15-13(9)19/h1,3,5,10H,2,4,6-8H2,(H2,14,18)(H,15,19)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | YJUWSGAKKBDWFC-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccnc2O |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccnc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(nc1)O)CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(nc1)O)CC(=O)N2CCCC(C2)C(=O)N |
