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

• ChemBase ID: 389511
• Molecular Formular: C17H25N3O2
• Molecular Mass: 303.3993
• Monoisotopic Mass: 303.19467706
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)C1(OCCCC1)C
• Canonical SMILES: O=C(C1(C)CCCCO1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C17H25N3O2/c1-12-15(14-5-7-18-9-13(14)10-19-12)11-20-16(21)17(2)6-3-4-8-22-17/h10,18H,3-9,11H2,1-2H3,(H,20,21)
• InChIKey: FWSSOSRWRKKLCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.926733
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2780864
• LogD (pH = 7.4): -0.7458482
• Log P: 0.7507627
• Molar Refractivity: 86.0214 cm^3
• Polarizability: 33.335094 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.27
• LOG S: -1.19
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 3