N'-[(1E)-(4-methoxyphenyl)methylidene]-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carbohydrazide

• ChemBase ID: 187994
• Molecular Formular: C19H19N5O4
• Molecular Mass: 381.38526
• Monoisotopic Mass: 381.14370411
• SMILES: n1(c(=O)n(c(=O)c2c1nc(c(c2)C(=O)N/N=C/c1ccc(cc1)OC)C)C)C
• Canonical SMILES: COc1ccc(cc1)/C=N/NC(=O)c1cc2c(=O)n(C)c(=O)n(c2nc1C)C
• InChI: InChI=1S/C19H19N5O4/c1-11-14(9-15-16(21-11)23(2)19(27)24(3)18(15)26)17(25)22-20-10-12-5-7-13(28-4)8-6-12/h5-10H,1-4H3,(H,22,25)/b20-10+
• InChIKey: BIQRKXLZZGLDER-KEBDBYFISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(1E)-(4-methoxyphenyl)methylidene]-1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carbohydrazide
• IUPAC Traditional name: N'-[(1E)-(4-methoxyphenyl)methylidene]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide

Database IDs

• PubChem SID: 164243904
• PubChem CID: 6875264

CALCULATED PROPERTIES

• Acid pKa: 9.560491
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1749957
• LogD (pH = 7.4): 1.1724135
• Log P: 1.1750627
• Molar Refractivity: 103.1775 cm^3
• Polarizability: 37.610924 Å^3
• Polar Surface Area: 104.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds