3-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
3-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
3-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S639-3635 |
| Compound Name: | 3-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C19 H22 N6 O |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1cccc(C#N)c1)=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2894 |
| logD: | -0.9987 |
| logSw: | -2.0092 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.566 |
| InChI Key: | XYCAIZUHZMMLAG-IRXDYDNUSA-N |