3-cyano-N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
3-cyano-N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}benzamide
3-cyano-N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | S823-1198 |
| Compound Name: | 3-cyano-N-{rel-(3R,4S)-4-(hydroxymethyl)-1-[(pyridin-2-yl)methyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C19 H20 N4 O2 |
| Smiles: | C(c1ccccn1)N1C[C@H]([C@@H](C1)CO)NC(c1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.384 |
| logD: | -0.338 |
| logSw: | -1.7484 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.255 |
| InChI Key: | ICZZZGBXZLCUPO-AEFFLSMTSA-N |