IWH
Summary
| Name: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide |
| Formula: | C15 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 256.3 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide |
| OpenEye OEToolkits | 1.7.0 | 1-[(2,4-dimethylphenyl)methyl]-6-oxo-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C1=CN(C(=O)C=C1)Cc2c(cc(cc2)C)C)N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(CN2C=C(C=CC2=O)C(N)=O)c(C)c1 |
| SMILES | CACTVS | 3.370 | Cc1ccc(CN2C=C(C=CC2=O)C(N)=O)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(c(c1)C)CN2C=C(C=CC2=O)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(c(c1)C)CN2C=C(C=CC2=O)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C15H16N2O2/c1-10-3-4-12(11(2)7-10)8-17-9-13(15(16)19)5-6-14(17)18/h3-7,9H,8H2,1-2H3,(H2,16,19) |
| InChIKey | InChI | 1.03 | TUJVPUNUHQIBSM-UHFFFAOYSA-N |
