rel-(3R,4S)-N-methyl-4-(4-methylbenzamido)-1-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4S)-N-methyl-4-(4-methylbenzamido)-1-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
rel-(3R,4S)-N-methyl-4-(4-methylbenzamido)-1-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S963-3292 |
| Compound Name: | rel-(3R,4S)-N-methyl-4-(4-methylbenzamido)-1-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C20 H24 N4 O2 |
| Smiles: | Cc1ccc(cc1)C(N[C@H]1CN(Cc2cccnc2)C[C@@H]1C(NC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5407 |
| logD: | 0.227 |
| logSw: | -1.5999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.894 |
| InChI Key: | XAOQVMOHYNCKFD-ROUUACIJSA-N |