N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl}pyridine-4-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl}pyridine-4-carboxamide
N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl}pyridine-4-carboxamide
Compound characteristics
| Compound ID: | S823-3808 |
| Compound Name: | N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl}pyridine-4-carboxamide |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C19 H23 N3 O3 |
| Smiles: | COc1cccc(CN2C[C@H]([C@@H](C2)CO)NC(c2ccncc2)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7013 |
| logD: | -2.0929 |
| logSw: | -1.3662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.628 |
| InChI Key: | KTCBNLLGIPHXQU-AEFFLSMTSA-N |