N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | P076-0335 |
| Compound Name: | N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C20 H21 N3 O |
| Smiles: | Cc1ccc(CNC(c2cc(cn2C)c2ccncc2)=O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 3.6535 |
| logD: | 3.6486 |
| logSw: | -3.5537 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.118 |
| InChI Key: | KWEDDFPJKMILNA-UHFFFAOYSA-N |