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

• ChemBase ID: 670210
• Molecular Formular: C22H23N5O
• Molecular Mass: 373.45092
• Monoisotopic Mass: 373.19026038
• SMILES: n1c(c2c(nc1c1ncccc1)CN(C(=O)c1cc(ccc1)C)CC2)N(C)C
• Canonical SMILES: Cc1cccc(c1)C(=O)N1CCc2c(C1)nc(nc2N(C)C)c1ccccn1
• InChI: InChI=1S/C22H23N5O/c1-15-7-6-8-16(13-15)22(28)27-12-10-17-19(14-27)24-20(25-21(17)26(2)3)18-9-4-5-11-23-18/h4-9,11,13H,10,12,14H2,1-3H3
• InChIKey: AMJHWVZOAXMMAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-7-(3-methylbenzoyl)-2-(pyridin-2-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,N-dimethyl-7-(3-methylbenzoyl)-2-(pyridin-2-yl)-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N,N-dimethyl-7-(3-methylbenzoyl)-2-pyridin-2-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): 4.0442843
• LogD (pH = 7.4): 4.045662
• Log P: 4.0456796
• Molar Refractivity: 121.6596 cm^3
• Polarizability: 41.728577 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.91
• LOG S: -3.55
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 3