N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-(piperidin-4-ylmethyl)benzamide

• ChemBase ID: 761142
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)c1cc(CC2CCNCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)CC1CCNCC1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C23H30N4O/c1-16-22(21-7-10-25-13-20(21)14-26-16)15-27-23(28)19-4-2-3-18(12-19)11-17-5-8-24-9-6-17/h2-4,12,14,17,24-25H,5-11,13,15H2,1H3,(H,27,28)
• InChIKey: YIZRGICFILRZES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.975168
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.4268055
• LogD (pH = 7.4): -2.4376526
• Log P: 1.833604
• Molar Refractivity: 113.6599 cm^3
• Polarizability: 43.47603 Å^3
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.81
• LOG S: -2.21
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 5