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

• ChemBase ID: 787061
• Molecular Formular: C15H21N3O
• Molecular Mass: 259.34674
• Monoisotopic Mass: 259.16846231
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)C1CCC1
• Canonical SMILES: O=C(C1CCC1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C15H21N3O/c1-10-14(9-18-15(19)11-3-2-4-11)13-5-6-16-7-12(13)8-17-10/h8,11,16H,2-7,9H2,1H3,(H,18,19)
• InChIKey: NSMDIDKREKKABF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.439069
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3746896
• LogD (pH = 7.4): -0.84245217
• Log P: 0.6541608
• Molar Refractivity: 74.9676 cm^3
• Polarizability: 28.956993 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.17
• LOG S: -0.96
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3