N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide

• ChemBase ID: 570156
• Molecular Formular: C19H19N3O2
• Molecular Mass: 321.37306
• Monoisotopic Mass: 321.14772686
• SMILES: n12c(nc(c1)CNC(=O)C1Cc3c(OC1)cccc3)ccc(c2)C
• Canonical SMILES: O=C(C1COc2c(C1)cccc2)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C19H19N3O2/c1-13-6-7-18-21-16(11-22(18)10-13)9-20-19(23)15-8-14-4-2-3-5-17(14)24-12-15/h2-7,10-11,15H,8-9,12H2,1H3,(H,20,23)
• InChIKey: GPKBZLJISYEYSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• IUPAC Traditional name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• Synonyms: N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]chromane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.963998
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.462933
• LogD (pH = 7.4): 2.1738198
• Log P: 2.2010872
• Molar Refractivity: 92.2466 cm^3
• Polarizability: 35.00066 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 1
• Log P: 2.32
• LOG S: -3.52