4FX
Summary
| Name: | 6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide |
| Formula: | C14 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 257.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)OC |
| InChI | InChI | 1.03 | InChI=1S/C14H15N3O2/c1-19-12-5-3-2-4-10(12)8-16-13-7-6-11(9-17-13)14(15)18/h2-7,9H,8H2,1H3,(H2,15,18)(H,16,17) |
| InChIKey | InChI | 1.03 | OZFDPNFXJQTLGG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1CNc2ccc(cn2)C(N)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1CNc2ccc(cn2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccccc1CNc2ccc(cn2)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccccc1CNc2ccc(cn2)C(=O)N |
