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

• ChemBase ID: 537849
• Molecular Formular: C19H22ClN3O2
• Molecular Mass: 359.84988
• Monoisotopic Mass: 359.14005464
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)C(Oc1cc(Cl)ccc1)C
• Canonical SMILES: O=C(C(Oc1cccc(c1)Cl)C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H22ClN3O2/c1-12-18(17-6-7-21-9-14(17)10-22-12)11-23-19(24)13(2)25-16-5-3-4-15(20)8-16/h3-5,8,10,13,21H,6-7,9,11H2,1-2H3,(H,23,24)
• InChIKey: LUAFIFFXVGVCQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.169566
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9093397
• LogD (pH = 7.4): 0.62289906
• Log P: 2.1195085
• Molar Refractivity: 98.2282 cm^3
• Polarizability: 38.147106 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.2
• LOG S: -2.4
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5