N-{rel-(3R,4S)-4-(methylcarbamoyl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(methylcarbamoyl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}pyrimidine-4-carboxamide
N-{rel-(3R,4S)-4-(methylcarbamoyl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | S963-3135 |
| Compound Name: | N-{rel-(3R,4S)-4-(methylcarbamoyl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}pyrimidine-4-carboxamide |
| Molecular Weight: | 340.38 |
| Molecular Formula: | C17 H20 N6 O2 |
| Smiles: | CNC([C@H]1CN(Cc2cccnc2)C[C@@H]1NC(c1ccncn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.4633 |
| logD: | -1.9823 |
| logSw: | -1.3194 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.084 |
| InChI Key: | KNIKEGLSPUQVGO-ZFWWWQNUSA-N |