HCID71105556

6-Cyclopropylmethoxy-5-(2-methyl-pyrrolidin-1-yl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(2-methylpyrrolidin-1-yl)pyridine-2-carboxamide

C21H32N4O3388.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)C[C@H](NC(=O)c1ccc(N2CCCC2C)c(OCC2CC2)n1)C(N)=O
InChIKey: VNWISLWPGGGFRQ-JRZJBTRGSA-N
分子式: C21H32N4O3
平均分子量: 388.5 g/mol
单同位素质量: 388.2474409

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 97.6 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 9
重原子: 28
形式电荷: 0
复杂度: 552

ALIASES

名称与别名

共 6 条

CHEMBL3929481SCHEMBL14226182VNWISLWPGGGFRQ-JRZJBTRGSA-NBDBM210198US9290451, 326-Cyclopropylmethoxy-5-(2-methyl-pyrrolidin-1-yl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide

REACTIONS

参与反应

2 条

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09321727B2

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uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09290451B2

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