HCID71113178

6-(3-Chloro-phenyl)-5-cyclopropyl-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide

6-(3-chlorophenyl)-5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

C22H26ClN3O2399.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CCC(CC)(NC(=O)c1ccc(C2CC2)c(-c2cccc(Cl)c2)n1)C(=O)NC
InChIKey: YRUGBTOSYHSDSR-UHFFFAOYSA-N
分子式: C22H26ClN3O2
平均分子量: 399.9 g/mol
单同位素质量: 399.1713548

COMPUTED

结构计算性质

已同步

XLogP: 4.7
极性表面积: 71.1 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 7
重原子: 28
形式电荷: 0
复杂度: 562

ALIASES

名称与别名

共 6 条

CHEMBL3910961SCHEMBL14241000YRUGBTOSYHSDSR-UHFFFAOYSA-NBDBM210286US9290451, 716-(3-Chloro-phenyl)-5-cyclopropyl-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide

REACTIONS

参与反应

3 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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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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