N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-fluoropyridine-4-carboxamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-fluoropyridine-4-carboxamide
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-fluoropyridine-4-carboxamide
Compound characteristics
| Compound ID: | S233-1641 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-fluoropyridine-4-carboxamide |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C22 H30 F N3 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CC1CCCCC1)=O)CNC(c1ccncc1F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6817 |
| logD: | 3.6816 |
| logSw: | -3.8405 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.654 |
| InChI Key: | NSMJGSCYTZYDOD-KNQAVFIVSA-N |