N-[rel-(3R,4S)-1-(6-methylpyridine-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(6-methylpyridine-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-1-(6-methylpyridine-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0086 |
| Compound Name: | N-[rel-(3R,4S)-1-(6-methylpyridine-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C20 H26 N6 O3 |
| Smiles: | Cc1cccc(C(N2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(C2CCOCC2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1365 |
| logD: | 0.1361 |
| logSw: | -1.9123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.377 |
| InChI Key: | JRNKMCWTJSNEOO-NVXWUHKLSA-N |