2(1H)-Pyridinone, 3-(((6,7-dihydro-3-methoxy-5H-cyclopenta(b)pyridin-2-yl)methyl)amino)-5-ethyl-6-methyl-
基本情報
- CAS
145902-01-8- 標準SMILES
CCc1cc(NCc2nc3c(cc2OC)CCC3)c(=O)[nH]c1C- InChIKey
GLWMYGWOLFUWSL-UHFFFAOYSA-N- 分子式
- C18H23N3O2
- 平均分子量
- 313.4 g/mol
- 単同位体質量
- 313.17902698
名称と識別子
- 優先名称
- 2(1H)-Pyridinone, 3-(((6,7-dihydro-3-methoxy-5H-cyclopenta(b)pyridin-2-yl)methyl)amino)-5-ethyl-6-methyl-
- IUPAC
- 5-ethyl-3-[(3-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)methylamino]-6-methyl-1H-pyridin-2-one
名称と別名
145902-01-82(1H)-Pyridinone, 3-(((6,7-dihydro-3-methoxy-5H-cyclopenta(b)pyridin-2-yl)methyl)amino)-5-ethyl-6-methyl-3-(((3-Methoxy-2-pyrindin2-yl)methyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one2(1H)-Pyridinone, 3-(((6,7-dihydro-3-methoxy-5H-1-pyrindin-2-yl)methyl)amino)-5-ethyl-6-methyl-3-[[(3-Methoxy-2-pyrindin2-yl)methyl]amino]-5-ethyl-6-methylpyridin-2(1H)-one2(1H)-Pyridinone, 3-[[(6,7-dihydro-3-methoxy-5H-1-pyrindin-2-yl)methyl]amino]-5-ethyl-6-methyl-2(1H)-Pyridinone, 3-[[(6,7-dihydro-3-methoxy-5H-cyclopenta[b]pyridin-2-yl)methyl]amino]-5-ethyl-6-methyl-CHEMBL313450DTXSID501631995-ethyl-3-[(3-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)methylamino]-6-methyl-1H-pyridin-2-one5H-1-Pyrindine, 2(1H)-pyridinone deriv.5-Ethyl-3-{[(3-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)methyl]amino}-6-methylpyridin-2(1H)-one
データベース識別子
- CAS
145902-01-8- PubChem CID
- 454379
- DTXSID
DTXSID50163199- ChEMBL
CHEMBL313450- Nikkaji
- J528.147D
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 63.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 526
関連反応
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