N-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]-2-pyrrolidin-1-yl-isonicotinamide

HCID 11258289

기본 정보

표준 SMILES
Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1B1OC(C)(C)C(C)(C)O1
InChIKey
QXSQYQQZUNRHCG-UHFFFAOYSA-N
분자식
C23H30BN3O3
평균 분자량
407.3 g/mol

이름 및 식별자

우선 이름
N-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]-2-pyrrolidin-1-yl-isonicotinamide
IUPAC
N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

이름 및 동의어

SCHEMBL3406043QXSQYQQZUNRHCG-UHFFFAOYSA-NN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)phenyl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamideN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-2-pyrrolidin-1-yl-isonicotinamideN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-2-pyrrolidin-1yl-isonicotinamideN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]-2-pyrrolidin-1-yl-isonicotinamideN-[4-methyl-3-(4,4,5,5-tetramethyl-[I ,3,2]-dioxaborolan-2-yl)phenyl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide

데이터베이스 식별자

PubChem CID
11258289

물성

구조 계산 물성

극성 표면적
63.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
30

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15건

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