N-[rel-(3R,4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide
N-[rel-(3R,4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S617-0832 |
| Compound Name: | N-[rel-(3R,4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C21 H27 N3 O4 |
| Smiles: | COc1cccc(CN2CC[C@H](CO)[C@@H](C2)NC(c2cccnc2)=O)c1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0356 |
| logD: | 0.0829 |
| logSw: | -1.1198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.221 |
| InChI Key: | ASFGLFPRHWSZLA-ROUUACIJSA-N |