N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S617-0485 |
| Compound Name: | N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]pyridine-3-carboxamide |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | Cn1cccc1C(N1CC[C@H](CO)[C@@H](C1)NC(c1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.551 |
| logD: | 0.551 |
| logSw: | -0.876 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.207 |
| InChI Key: | KBMHUTDUWFHKIX-GJZGRUSLSA-N |