N,N-dimethyl-7-(piperidine-1-carbonyl)-2-(pyridin-3-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 456238
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: n1c(c2c(nc1c1cnccc1)CN(C(=O)N1CCCCC1)CC2)N(C)C
• Canonical SMILES: O=C(N1CCc2c(C1)nc(nc2N(C)C)c1cccnc1)N1CCCCC1
• InChI: InChI=1S/C20H26N6O/c1-24(2)19-16-8-12-26(20(27)25-10-4-3-5-11-25)14-17(16)22-18(23-19)15-7-6-9-21-13-15/h6-7,9,13H,3-5,8,10-12,14H2,1-2H3
• InChIKey: ZJNKETKLOIIEPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-7-(piperidine-1-carbonyl)-2-(pyridin-3-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,N-dimethyl-7-(piperidine-1-carbonyl)-2-(pyridin-3-yl)-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N,N-dimethyl-7-(piperidin-1-ylcarbonyl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.40305
• LogD (pH = 7.4): 2.42484
• Log P: 2.4251246
• Molar Refractivity: 116.932 cm^3
• Polarizability: 40.193386 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.21
• LOG S: -3.76
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 2