N-[2-(pyridin-4-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-4-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-4-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: | N121-0653 |
| Compound Name: | N-[2-(pyridin-4-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(NCCc2ccncc2)=O)N(Cc2cccnc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 0.5587 |
| logD: | -0.6513 |
| logSw: | -1.2057 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.43 |
| InChI Key: | QTIRLCWTHALXJM-IYUNARRTSA-N |