2-[[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acid

HCID 66697752

기본 정보

표준 SMILES
Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1
InChIKey
KEJICOXJTRHYAK-UHFFFAOYSA-N
분자식
C25H27N5O4
평균 분자량
461.5 g/mol
단동위원소 질량
461.20630436

이름 및 식별자

우선 이름
2-[[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acid
IUPAC
2-[[6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acid

이름 및 동의어

2-[[6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acidAlogliptin Impurity 11;free base 1108732-05-32-[6-[3(R)-Aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ylmethyl]benzonitrile benzoateAlogliptinbenzoateSCHEMBL476232Alogliptin (SYR-322) benzoateKEJICOXJTRHYAK-UHFFFAOYSA-N(S)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)methyl)benzonitrile benzoate2-[[6-[(3S)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-benzonitrile Benzoates2868CCG-2301772-[6-(3 -amino-piperidin-1-yl)-3 -methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-benzonitrile benzoate
이름 더 보기
2-[6-(3-amino-piperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-benzonitrile benzoate

데이터베이스 식별자

PubChem CID
66697752

물성

구조 계산 물성

극성 표면적
131 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
4
무거운 원자 수
34

관련 반응

33건

화합물 노트

불러오는 중…