1-({2-methylpyrido[2,3-d]pyrimidin-4-yl}amino)cyclopentane-1-carboxamide

• ChemBase ID: 437169
• Molecular Formular: C14H17N5O
• Molecular Mass: 271.31768
• Monoisotopic Mass: 271.14331019
• SMILES: c1(nc(nc2c1cccn2)C)NC1(C(=O)N)CCCC1
• Canonical SMILES: Cc1nc(NC2(CCCC2)C(=O)N)c2c(n1)nccc2
• InChI: InChI=1S/C14H17N5O/c1-9-17-11-10(5-4-8-16-11)12(18-9)19-14(13(15)20)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H2,15,20)(H,16,17,18,19)
• InChIKey: VDPOGYHSGUNZHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({2-methylpyrido[2,3-d]pyrimidin-4-yl}amino)cyclopentane-1-carboxamide
• IUPAC Traditional name: 1-({2-methylpyrido[2,3-d]pyrimidin-4-yl}amino)cyclopentane-1-carboxamide
• Synonyms: 1-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.938552
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.321074
• LogD (pH = 7.4): 1.3211265
• Log P: 1.3211273
• Molar Refractivity: 77.7079 cm^3
• Polarizability: 28.91926 Å^3
• Polar Surface Area: 93.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.36
• LOG S: -2.39
• Polar Surface Area: 93.79 Å^2
• Rotatable Bonds: 3