N-[rel-(3R,4S)-1-(2,3-dimethoxybenzoyl)-3-(hydroxymethyl)piperidin-4-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(2,3-dimethoxybenzoyl)-3-(hydroxymethyl)piperidin-4-yl]pyridine-3-carboxamide
N-[rel-(3R,4S)-1-(2,3-dimethoxybenzoyl)-3-(hydroxymethyl)piperidin-4-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S292-0617 |
| Compound Name: | N-[rel-(3R,4S)-1-(2,3-dimethoxybenzoyl)-3-(hydroxymethyl)piperidin-4-yl]pyridine-3-carboxamide |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C21 H25 N3 O5 |
| Smiles: | COc1cccc(C(N2CC[C@H]([C@H](C2)CO)NC(c2cccnc2)=O)=O)c1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4588 |
| logD: | 0.4588 |
| logSw: | -1.3215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.137 |
| InChI Key: | TUQVUQPSEQRLQT-DOTOQJQBSA-N |