3-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
3-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]benzamide
3-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
Compound ID: | S639-1049 |
Compound Name: | 3-cyano-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]benzamide |
Molecular Weight: | 349.43 |
Molecular Formula: | C20 H23 N5 O |
Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1cccc(C#N)c1)=O)c1ccccn1 |
Stereo: | RELATIVE |
logP: | 1.7099 |
logD: | -0.4287 |
logSw: | -2.1847 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.715 |
InChI Key: | IEJLUWPNJTXUTQ-ROUUACIJSA-N |