N-[2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide (HCID 10479082)

基本情報

標準SMILES: Cc1nnc(-c2ccc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)c(C)c2)o1
InChIKey: OBHNTFJGFUEQCQ-UHFFFAOYSA-N
分子式: C27H27N5O2
平均分子量: 453.5 g/mol
単同位体質量: 453.21647512

名称と識別子

優先名称: N-[2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide
IUPAC: N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

名称と別名

CHEMBL495729SCHEMBL5123347OBHNTFJGFUEQCQ-UHFFFAOYSA-NBDBM50265035PD082365N-(2'',6-dimethyl-4''-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-yl)-2-(pyrrolidin-1-yl)isonicotinamideN-[2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide

データベース識別子

PubChem CID: 10479082
ChEMBL: CHEMBL495729

物性

構造計算による物性

XLogP: 4.9
極性表面積: 84.2 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 5
重原子数: 34
形式電荷: 0
複雑度: 686

化合物ノート

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