N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2,5-dimethylbenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2,5-dimethylbenzamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2,5-dimethylbenzamide
Compound characteristics
| Compound ID: | S639-1282 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}-2,5-dimethylbenzamide |
| Molecular Weight: | 366.51 |
| Molecular Formula: | C22 H30 N4 O |
| Smiles: | Cc1ccc(C)c(c1)C(N[C@@H]1CN(Cc2ccccn2)C[C@H]1CN(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3838 |
| logD: | 0.3171 |
| logSw: | -2.9055 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.971 |
| InChI Key: | RVTJWIDSPFFPFL-RXVVDRJESA-N |