4G4
Summary
| Name: | 6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide |
| Formula: | C15 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 270.33 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 6-[[2-(dimethylamino)phenyl]methylamino]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N(C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H18N4O/c1-19(2)13-6-4-3-5-11(13)9-17-14-8-7-12(10-18-14)15(16)20/h3-8,10H,9H2,1-2H3,(H2,16,20)(H,17,18) |
| InChIKey | InChI | 1.03 | OQZMUCDXSPWFIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccccc1CNc2ccc(cn2)C(N)=O |
| SMILES | CACTVS | 3.385 | CN(C)c1ccccc1CNc2ccc(cn2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C)c1ccccc1CNc2ccc(cn2)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN(C)c1ccccc1CNc2ccc(cn2)C(=O)N |
