N-{2-methylpyrido[2,3-d]pyrimidin-4-yl}-1-(morpholine-4-carbonyl)piperidin-4-amine

• ChemBase ID: 830021
• Molecular Formular: C18H24N6O2
• Molecular Mass: 356.42216
• Monoisotopic Mass: 356.19607404
• SMILES: c1(nc(nc2c1cccn2)C)NC1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCC(CC1)Nc1nc(C)nc2c1cccn2
• InChI: InChI=1S/C18H24N6O2/c1-13-20-16-15(3-2-6-19-16)17(21-13)22-14-4-7-23(8-5-14)18(25)24-9-11-26-12-10-24/h2-3,6,14H,4-5,7-12H2,1H3,(H,19,20,21,22)
• InChIKey: NALRMZOZWMQAOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-methylpyrido[2,3-d]pyrimidin-4-yl}-1-(morpholine-4-carbonyl)piperidin-4-amine
• IUPAC Traditional name: N-{2-methylpyrido[2,3-d]pyrimidin-4-yl}-1-(morpholine-4-carbonyl)piperidin-4-amine
• Synonyms: 2-methyl-N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.240791
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.5347005
• LogD (pH = 7.4): 0.5347687
• Log P: 0.5347696
• Molar Refractivity: 100.615 cm^3
• Polarizability: 37.402668 Å^3
• Polar Surface Area: 83.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.07
• LOG S: -2.78
• Polar Surface Area: 83.48 Å^2
• Rotatable Bonds: 2