rel-(3aR,6aR)-N,N-dimethyl-2-(2-methylpyridine-3-carbonyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N,N-dimethyl-2-(2-methylpyridine-3-carbonyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-(2-methylpyridine-3-carbonyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0350 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-(2-methylpyridine-3-carbonyl)-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C22 H27 N5 O2 |
| Smiles: | Cc1c(cccn1)C(N1C[C@@H]2CN(Cc3cccnc3)C[C@@]2(C1)C(N(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2788 |
| logD: | -4.0357 |
| logSw: | -1.4331 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.957 |
| InChI Key: | JPCGOMFRBDRPLE-GCJKJVERSA-N |