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

• ChemBase ID: 543536
• Molecular Formular: C16H23N3O2
• Molecular Mass: 289.37272
• Monoisotopic Mass: 289.17902699
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)C1(OCCC1)C
• Canonical SMILES: O=C(C1(C)CCCO1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C16H23N3O2/c1-11-14(13-4-6-17-8-12(13)9-18-11)10-19-15(20)16(2)5-3-7-21-16/h9,17H,3-8,10H2,1-2H3,(H,19,20)
• InChIKey: IXFCDJBURUBPGJ-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]oxolane-2-carboxamide
• IUPAC Traditional name: 2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide
• Synonyms: 2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]tetrahydro-2-furancarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.870672
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.722655
• LogD (pH = 7.4): -1.1904168
• Log P: 0.30619404
• Molar Refractivity: 81.4204 cm^3
• Polarizability: 31.49545 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: -0.83
• LOG S: -0.61
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 3