{2-[5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-ylmethyl]pyridin-5-yl}amine

HCID 15870202

기본 정보

표준 SMILES
Cc1cc(Cc2ccc(N)cn2)n(C)c1C(=O)c1ccc(Cl)cc1
InChIKey
VUASLELVQHEHAW-UHFFFAOYSA-N
분자식
C19H18ClN3O
평균 분자량
339.8 g/mol
단동위원소 질량
339.1138399

이름 및 식별자

우선 이름
{2-[5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-ylmethyl]pyridin-5-yl}amine
IUPAC
[5-[(5-amino-2-pyridinyl)methyl]-1,3-dimethylpyrrol-2-yl]-(4-chlorophenyl)methanone

이름 및 동의어

{2-[5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-ylmethyl]pyridin-5-yl}amine{2-{5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-ylmethyl]pyridin-5-yl}amineSCHEMBL7468568VUASLELVQHEHAW-UHFFFAOYSA-NN-{2-[5-(4-chlorobenzoyl)-1,4-di-methyl-1H-pyrrol-2-yl-methyl]-pyridin-5-yl}amineN-{2-[5-(4-chlorobenzoyl)-1,4-di-methyl-1H-pyrrol-2-ylmethyl]-pyridin-5-yl}amineN-{2-[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-ylmethyl]pyridin-5-yl} amineN-{2-[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-ylmethyl]pyridin-5-yl}amine

데이터베이스 식별자

PubChem CID
15870202

물성

구조 계산 물성

XLogP
3.6
극성 표면적
60.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
24

관련 반응

18건

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