4G3
Summary
| Name: | 6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide |
| Formula: | C13 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 243.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 6-[(3-hydroxyphenyl)methylamino]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O2/c14-13(18)10-4-5-12(16-8-10)15-7-9-2-1-3-11(17)6-9/h1-6,8,17H,7H2,(H2,14,18)(H,15,16) |
| InChIKey | InChI | 1.03 | WNJXCRUMIMMAQO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(NCc2cccc(O)c2)nc1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(NCc2cccc(O)c2)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N |
