N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methoxybenzamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | S639-0848 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-3-methoxybenzamide |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | CN(C)C[C@@H]1CN(Cc2cccnc2)C[C@H]1NC(c1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0986 |
| logD: | -0.9681 |
| logSw: | -1.4369 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.489 |
| InChI Key: | YHIYTWVBHKKDQJ-ICSRJNTNSA-N |