N-(3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 564053
• Molecular Formular: C19H22N2O3
• Molecular Mass: 326.38958
• Monoisotopic Mass: 326.16304257
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)NCC1Cc2c(OC1)cccc2
• Canonical SMILES: O=C(c1c(C)cc(n(c1=O)C)C)NCC1COc2c(C1)cccc2
• InChI: InChI=1S/C19H22N2O3/c1-12-8-13(2)21(3)19(23)17(12)18(22)20-10-14-9-15-6-4-5-7-16(15)24-11-14/h4-8,14H,9-11H2,1-3H3,(H,20,22)
• InChIKey: ZOJLTVVUSHFKEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-(3,4-dihydro-2H-1-benzopyran-3-ylmethyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
• Synonyms: N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.218574
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4784077
• LogD (pH = 7.4): 1.4784082
• Log P: 1.4784082
• Molar Refractivity: 94.3083 cm^3
• Polarizability: 35.420757 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.11
• LOG S: -3.38
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 3