N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-methylpyridine-3-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-methylpyridine-3-carboxamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-methylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | S639-0413 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2-methylpyridine-3-carboxamide |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | Cc1c(cccn1)C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1CN(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8525 |
| logD: | -0.2141 |
| logSw: | -2.6165 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.052 |
| InChI Key: | GFBQRCBWEHNDCQ-ICSRJNTNSA-N |