dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate

C26H20N2O6 — CID 66497350

IUPACdimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)cc(C(=O)OC)c1
InChIInChI=1S/C26H20N2O6/c1-33-25(31)18-12-19(26(32)34-2)14-20(13-18)27-23(29)21-9-10-22(28-24(21)30)17-8-7-15-5-3-4-6-16(15)11-17/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChIKeyXMBATFDJTWJDGX-UHFFFAOYSA-N
MW456.45 g/mol
LogP4.02
Rot. Bonds5

About dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 66497350) has the molecular formula C26H20N2O6 and a molecular weight of 456.45 g/mol. Its IUPAC name is dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID66497350
Molecular FormulaC26H20N2O6
Molecular Weight456.45 g/mol
Exact Mass456.13
IUPAC Namedimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)cc(C(=O)OC)c1
InChIInChI=1S/C26H20N2O6/c1-33-25(31)18-12-19(26(32)34-2)14-20(13-18)27-23(29)21-9-10-22(28-24(21)30)17-8-7-15-5-3-4-6-16(15)11-17/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChIKeyXMBATFDJTWJDGX-UHFFFAOYSA-N
XLogP4.02
TPSA114.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497452
N-(3-acetylphenyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497266
N-(4-methylphenyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497515
N-methyl-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497282
N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497426
N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497391
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
N-(2-methyl-4-nitrophenyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497495
methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 115584192
N-cyclohexyl-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497312
N-(2-methylcyclohexyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497320
N-(4-ethoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497881

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate (CID 66497350) is dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is XMBATFDJTWJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O6/c1-33-25(31)18-12-19(26(32)34-2)14-20(13-18)27-23(29)21-9-10-22(28-24(21)30)17-8-7-15-5-3-4-6-16(15)11-17/h3-14H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 456.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 66497350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).