N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-5-methylpyridine-3-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-5-methylpyridine-3-carboxamide
N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-5-methylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | S963-2532 |
| Compound Name: | N-[rel-(3R,4S)-1-benzyl-4-(methylcarbamoyl)pyrrolidin-3-yl]-5-methylpyridine-3-carboxamide |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C20 H24 N4 O2 |
| Smiles: | Cc1cc(cnc1)C(N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(NC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.672 |
| logD: | -0.0801 |
| logSw: | -1.975 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.983 |
| InChI Key: | XRQNKCYMBKLEPM-ROUUACIJSA-N |