5-formyl-2,4-dimethyl-N-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrrole-3-carboxamide

HCID 20761729

ノート反応

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1[nH]c(C=O)c(C)c1C(=O)NCCN1CCCC1
InChIKey: GAIGHRNVLYOOKS-UHFFFAOYSA-N
分子式: C14H21N3O2
平均分子量: 263.34 g/mol

名称と識別子

優先名称: 5-formyl-2,4-dimethyl-N-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrrole-3-carboxamide
IUPAC: 5-formyl-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide

名称と別名

5-formyl-2,4-dimethyl-N-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrrole-3-carboxamideSunitinib Impurity 73SCHEMBL1080486GAIGHRNVLYOOKS-UHFFFAOYSA-N5-formyl-2,4-dimethyl--1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-ylethyl)amide5-formyl-2,4-dimethyl-1 H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide5-formyl-2,4-dimethyl-1H-pyrrole-3 carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-yl-ethyl)amide5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-ylethyl)amide342642-56-2

データベース識別子

PubChem CID: 20761729

物性

構造計算による物性

XLogP: 1.1
極性表面積: 65.2 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 19
形式電荷: 0
複雑度: 329

関連反応

136 件

反応記録を作成

HRID 96324反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 99141反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101550生成物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 107602反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 125122反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138606反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 148024反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 163425反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

化合物ノート

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