N-[2-(pyridin-3-yl)ethyl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
Chemical Structure Depiction of
N-[2-(pyridin-3-yl)ethyl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
N-[2-(pyridin-3-yl)ethyl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
Compound characteristics
Compound ID: | N121-0652 |
Compound Name: | N-[2-(pyridin-3-yl)ethyl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide |
Molecular Weight: | 461.65 |
Molecular Formula: | C28 H39 N5 O |
Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCCc2cccnc2)=O)N(Cc2cccnc2)C1 |
Stereo: | ABSOLUTE |
logP: | 0.4623 |
logD: | -0.7478 |
logSw: | -1.2909 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.52 |
InChI Key: | OHKDDEBAZPBJLV-IYUNARRTSA-N |