N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)propanamide

• ChemBase ID: 520824
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: N1(C(=O)CCC1)C(C(=O)NCc1c2c(cnc1C)CNCC2)C
• Canonical SMILES: O=C(C(N1CCCC1=O)C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C17H24N4O2/c1-11-15(14-5-6-18-8-13(14)9-19-11)10-20-17(23)12(2)21-7-3-4-16(21)22/h9,12,18H,3-8,10H2,1-2H3,(H,20,23)
• InChIKey: WEIOZGGIVFTYBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(2-oxo-1-pyrrolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.101571
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.6848938
• LogD (pH = 7.4): -2.152656
• Log P: -0.656044
• Molar Refractivity: 88.0568 cm^3
• Polarizability: 33.861107 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.13
• LOG S: -0.55
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 4