4-(4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)butanamide

• ChemBase ID: 227564
• Molecular Formular: C18H18N2O5
• Molecular Mass: 342.34592
• Monoisotopic Mass: 342.12157169
• SMILES: c1(=O)n(c(cc(c1)O)C)CCCC(=O)Nc1cc2c(C(=O)OC2)cc1
• Canonical SMILES: O=C(Nc1ccc2c(c1)COC2=O)CCCn1c(C)cc(cc1=O)O
• InChI: InChI=1S/C18H18N2O5/c1-11-7-14(21)9-17(23)20(11)6-2-3-16(22)19-13-4-5-15-12(8-13)10-25-18(15)24/h4-5,7-9,21H,2-3,6,10H2,1H3,(H,19,22)
• InChIKey: UHLMIAGFUHDSRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)butanamide
• IUPAC Traditional name: 4-(4-hydroxy-2-methyl-6-oxopyridin-1-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide

Database IDs

• PubChem SID: 164283474
• PubChem CID: 71754691

CALCULATED PROPERTIES

• Acid pKa: 9.037932
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0361347
• LogD (pH = 7.4): 1.0263802
• Log P: 1.0362605
• Molar Refractivity: 95.0496 cm^3
• Polarizability: 34.29808 Å^3
• Polar Surface Area: 95.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds