N-[rel-(3R,4R)-1-(2,4-dimethoxybenzoyl)-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-1-(2,4-dimethoxybenzoyl)-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide
N-[rel-(3R,4R)-1-(2,4-dimethoxybenzoyl)-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S617-0445 |
| Compound Name: | N-[rel-(3R,4R)-1-(2,4-dimethoxybenzoyl)-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C21 H25 N3 O5 |
| Smiles: | COc1ccc(C(N2CC[C@H](CO)[C@@H](C2)NC(c2cccnc2)=O)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5753 |
| logD: | 0.5752 |
| logSw: | -1.5915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.964 |
| InChI Key: | KTKKQHZLUGIGKQ-QAPCUYQASA-N |