N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}cyclohex-3-ene-1-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}cyclohex-3-ene-1-carboxamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}cyclohex-3-ene-1-carboxamide
Compound characteristics
| Compound ID: | S639-8471 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}cyclohex-3-ene-1-carboxamide |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C20 H30 N4 O |
| Smiles: | CN(C)C[C@@H]1CN(Cc2cccnc2)C[C@H]1NC(C1CCC=CC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2639 |
| logD: | -0.8604 |
| logSw: | -1.1391 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.138 |
| InChI Key: | VKOMUDQTCNIVHP-MNNMKWMVSA-N |