N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-1-(pyridin-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 536246
• Molecular Formular: C20H24N6
• Molecular Mass: 348.44476
• Monoisotopic Mass: 348.2062448
• SMILES: c1(c2c(nc(cc2C)C)ncn1)NC1CCN(Cc2ncccc2)CC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NC1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C20H24N6/c1-14-11-15(2)24-19-18(14)20(23-13-22-19)25-16-6-9-26(10-7-16)12-17-5-3-4-8-21-17/h3-5,8,11,13,16H,6-7,9-10,12H2,1-2H3,(H,22,23,24,25)
• InChIKey: ASYOJFHDBJRCPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-1-(pyridin-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-1-(pyridin-2-ylmethyl)piperidin-4-amine
• Synonyms: 5,7-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.128803
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.03479991
• LogD (pH = 7.4): 1.5962662
• Log P: 1.8595006
• Molar Refractivity: 105.741 cm^3
• Polarizability: 39.698837 Å^3
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.4
• LOG S: -0.63
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 4