N-methyl-6-(3-methylpiperidine-3-carbonyl)-4-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine

• ChemBase ID: 532603
• Molecular Formular: C20H30N6O2
• Molecular Mass: 386.4912
• Monoisotopic Mass: 386.24302423
• SMILES: c12c(C(=O)N3CCCC3)nc(nc2CCN(C(=O)C2(CNCCC2)C)C1)NC
• Canonical SMILES: CNc1nc2CCN(Cc2c(n1)C(=O)N1CCCC1)C(=O)C1(C)CCCNC1
• InChI: InChI=1S/C20H30N6O2/c1-20(7-5-8-22-13-20)18(28)26-11-6-15-14(12-26)16(24-19(21-2)23-15)17(27)25-9-3-4-10-25/h22H,3-13H2,1-2H3,(H,21,23,24)
• InChIKey: JNHYLDZGTBQLFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-(3-methylpiperidine-3-carbonyl)-4-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine
• IUPAC Traditional name: N-methyl-6-(3-methylpiperidine-3-carbonyl)-4-(pyrrolidine-1-carbonyl)-5H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine
• Synonyms: N-methyl-6-[(3-methyl-3-piperidinyl)carbonyl]-4-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.846167
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.857676
• LogD (pH = 7.4): -1.9623113
• Log P: 0.34444252
• Molar Refractivity: 109.2272 cm^3
• Polarizability: 40.71556 Å^3
• Polar Surface Area: 90.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.94
• LOG S: -2.52
• Polar Surface Area: 90.46 Å^2
• Rotatable Bonds: 3