4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]benzamide
4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S639-1042 |
| Compound Name: | 4-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C20 H23 N5 O |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1ccc(C#N)cc1)=O)c1ccccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7432 |
| logD: | -0.3955 |
| logSw: | -2.0648 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.715 |
| InChI Key: | FXOYGQJHFOSNBB-ROUUACIJSA-N |