N-[rel-(3R,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0168 |
| Compound Name: | N-[rel-(3R,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C21 H28 N6 O4 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(C2CCCC2)=O)C(c2ccc(nc2OC)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.721 |
| logD: | 1.7205 |
| logSw: | -2.675 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.773 |
| InChI Key: | NJQGZVYOEIULPU-HZPDHXFCSA-N |