HCID9884942

Benzamide, N-3-isoquinolinyl-2-[(4-pyridinylmethyl)amino]-

N-isoquinolin-3-yl-2-(pyridin-4-ylmethylamino)benzamide

C22H18N4O354.4 g/molCAS 267891-44-1

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IDENTITY

结构与身份

标准SMILES: O=C(Nc1cc2ccccc2cn1)c1ccccc1NCc1ccncc1
InChIKey: UHUQDQUVZJEUKR-UHFFFAOYSA-N
分子式: C22H18N4O
平均分子量: 354.4 g/mol
单同位素质量: 354.14806121

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 66.9 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 5
重原子: 27
形式电荷: 0
复杂度: 479

ALIASES

名称与别名

共 9 条

267891-44-1Benzamide, N-3-isoquinolinyl-2-[(4-pyridinylmethyl)amino]-N-(Isoquinolin-3-yl)-2-((pyridin-4-ylmethyl)amino)benzamideSCHEMBL2229333DTXSID50432397UHUQDQUVZJEUKR-UHFFFAOYSA-NN-(isoquinolin-3-yl)-2-{[(pyridin-4-yl)methyl]amino}benzamidePD127942N-(isoquinolin-3-yl)-2-(4-pyridylmethyl)aminobenzoic acid amide

REACTIONS

参与反应

2 条

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

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uspto-grants-2008_12 · 10.6084/m9.figshare.5104873.v1 · US07459470B2

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