N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl}pyridine-3-carboxamide
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S823-7075 |
| Compound Name: | N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl}pyridine-3-carboxamide |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C19 H23 N3 O2 |
| Smiles: | Cc1cccc(CN2C[C@H]([C@@H](C2)CO)NC(c2cccnc2)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3536 |
| logD: | -0.314 |
| logSw: | -1.3862 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.173 |
| InChI Key: | PTCMLFOHGIILFL-MSOLQXFVSA-N |