N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Chemical Structure Depiction of
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Compound characteristics
| Compound ID: | N121-1115 |
| Compound Name: | N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide |
| Molecular Weight: | 506.69 |
| Molecular Formula: | C29 H42 N6 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N(C)Cc2cn(CC)nc2C)=O)N(C1)C(c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2388 |
| logD: | -1.2229 |
| logSw: | -1.2431 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.188 |
| InChI Key: | DNDIUKHABPSQLU-DTOIDXSMSA-N |