HCID86694417

N-[5-(4,6-dimethylpyrimidin-5-yl)-6-(2-naphthalen-2-ylethynyl)-pyridin-2-yl]-2-(methylamino)propanamide

N-[5-(4,6-dimethylpyrimidin-5-yl)-6-(2-naphthalen-2-ylethynyl)-2-pyridinyl]-2-(methylamino)propanamide

C27H25N5O435.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CNC(C)C(=O)Nc1ccc(-c2c(C)ncnc2C)c(C#Cc2ccc3ccccc3c2)n1
InChIKey: NKHNVJCYSBCIAC-UHFFFAOYSA-N
分子式: C27H25N5O
平均分子量: 435.5 g/mol
单同位素质量: 435.20591044

COMPUTED

结构计算性质

已同步

XLogP: 4.4
极性表面积: 79.8 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 6
重原子: 33
形式电荷: 0
复杂度: 719

ALIASES

名称与别名

共 4 条

SCHEMBL15207043NKHNVJCYSBCIAC-UHFFFAOYSA-NN-[5-(4,6-dimethylpyrimidin-5-yl)-6-(2-naphthalen-2-ylethynyl)-pyridin-2-yl]-2-(methylamino)propanamideN-[5-(4,6-dimethylpyrimidin-5-yl)-6-(2-naphthalen-2-ylethynyl)pyridin-2-yl]-2-(methylamino)propanamide

REACTIONS

参与反应

1 条

uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08859541B2

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