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

• ChemBase ID: 862628
• Molecular Formular: C15H21N3O2
• Molecular Mass: 275.34614
• Monoisotopic Mass: 275.16337693
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)C1COCC1
• Canonical SMILES: O=C(C1COCC1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C15H21N3O2/c1-10-14(8-18-15(19)11-3-5-20-9-11)13-2-4-16-6-12(13)7-17-10/h7,11,16H,2-6,8-9H2,1H3,(H,18,19)
• InChIKey: LKEVTQFRXKBMGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 2
• Log P: -1.33
• LOG S: -0.08
• Polar Surface Area: 63.25 Å^2

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 15.279622
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.4667099
• LogD (pH = 7.4): -1.9344724
• Log P: -0.43785948
• Molar Refractivity: 76.9631 cm^3
• Polarizability: 29.6566 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 3