4-cyano-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
4-cyano-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide
4-cyano-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | S639-0831 |
| Compound Name: | 4-cyano-N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C21 H25 N5 O |
| Smiles: | CN(C)C[C@@H]1CN(Cc2cccnc2)C[C@H]1NC(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6908 |
| logD: | -1.3758 |
| logSw: | -1.135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.002 |
| InChI Key: | IXFVZHYOIZBPQZ-PMACEKPBSA-N |