N-(2-(((1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
기본 정보
- CAS
1003576-00-8- 표준 SMILES
O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(OCC(F)(F)F)nc1- InChIKey
QQBSDNDBBQAJAF-UHFFFAOYSA-N- 분자식
- C21H17F6N5O3
- 평균 분자량
- 501.4 g/mol
개요
structure in first source
이름 및 식별자
- 우선 이름
- N-(2-(((1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
- IUPAC
- N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
- 영어명
- 6-(2,2,2-Trifluoroethoxy)-N-[2-[[[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl]amino]ethyl]nicotinamide
- 분자식
- C21H17F6N5O3
- 분자량
- 501.38
이름 및 동의어
N-[2-({[1-Phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}amino)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamideN-(2-(((1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamidePTPCAE-TPCNH2RefChem:9266201003576-00-86-(2,2,2-Trifluoroethoxy)-N-[2-[[[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl]amino]ethyl]nicotinamideCHEMBL1092385n-(2-(1-phenyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxamido)ethyl)-6-(2,2,2-trifluoroethoxy)nicotinamideN-(2-{[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]formamido}ethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamideSCHEMBL4298316QQBSDNDBBQAJAF-UHFFFAOYSA-NBDBM50314752
이름 더 보기
ifluoroMethyl)-1H-pN-(2-(1-phenyl-3-(yrazole-4-carboxaMido)ethyl)-6-(2,2,2-trifluoroethoxy)nicotinaMideN-(2-(1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)ethyl)-6-(2,2,2-trifluoroethoxy)nicotinamidN-[2-[[[1-Phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl]amino]ethyl]-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxamide
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 98.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 717
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