N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)acetamide

• ChemBase ID: 849001
• Molecular Formular: C18H28N4O
• Molecular Mass: 316.44112
• Monoisotopic Mass: 316.22631154
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)CC1N(C)CCCC1
• Canonical SMILES: O=C(CC1CCCCN1C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C18H28N4O/c1-13-17(16-6-7-19-10-14(16)11-20-13)12-21-18(23)9-15-5-3-4-8-22(15)2/h11,15,19H,3-10,12H2,1-2H3,(H,21,23)
• InChIKey: OIWWFFNNIFNGGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
• Synonyms: 2-(1-methyl-2-piperidinyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.63126
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.9243093
• LogD (pH = 7.4): -3.0658
• Log P: 0.46844035
• Molar Refractivity: 92.908 cm^3
• Polarizability: 36.010616 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.1
• LOG S: -1.43
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 4