N-[(1-cyclopropanecarbonylpiperidin-3-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 754593
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1CN(C(=O)C2CC2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)CNc1ncnc2c1c(C)cc(n2)C)C1CC1
• InChI: InChI=1S/C19H25N5O/c1-12-8-13(2)23-18-16(12)17(21-11-22-18)20-9-14-4-3-7-24(10-14)19(25)15-5-6-15/h8,11,14-15H,3-7,9-10H2,1-2H3,(H,20,21,22,23)
• InChIKey: LINWRNMIKNAAII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopropanecarbonylpiperidin-3-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[(1-cyclopropanecarbonylpiperidin-3-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-{[1-(cyclopropylcarbonyl)piperidin-3-yl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.882189
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.769033
• LogD (pH = 7.4): 1.7799352
• Log P: 1.780076
• Molar Refractivity: 100.1971 cm^3
• Polarizability: 37.315376 Å^3
• Polar Surface Area: 71.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.57
• LOG S: -3.02
• Polar Surface Area: 71.01 Å^2
• Rotatable Bonds: 4