N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1-(pyridin-2-yl)piperidine-3-carboxamide

• ChemBase ID: 829642
• Molecular Formular: C21H27N5O
• Molecular Mass: 365.47198
• Monoisotopic Mass: 365.22156051
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)C1CN(c2ncccc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)c1ccccn1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C21H27N5O/c1-15-19(18-7-9-22-11-17(18)12-24-15)13-25-21(27)16-5-4-10-26(14-16)20-6-2-3-8-23-20/h2-3,6,8,12,16,22H,4-5,7,9-11,13-14H2,1H3,(H,25,27)
• InChIKey: LTOWXIJTCZNZMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1-(pyridin-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1-(pyridin-2-yl)piperidine-3-carboxamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1-(2-pyridinyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.289627
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.5683377
• LogD (pH = 7.4): -0.20006207
• Log P: 1.3402345
• Molar Refractivity: 107.1948 cm^3
• Polarizability: 40.635624 Å^3
• Polar Surface Area: 70.15 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: 0.04
• LOG S: -1.91
• Polar Surface Area: 70.15 Å^2
• Rotatable Bonds: 4