diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate

C18H19N3O6 — CID 11740058

IUPACdiethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1NNC(=O)c1ccccc1
InChIInChI=1S/C18H19N3O6/c1-3-26-17(24)12-10-13(18(25)27-4-2)16(23)19-14(12)20-21-15(22)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyVQASBKZLGJKGHA-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.49
Rot. Bonds7

About diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate

diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate (PubChem CID 11740058) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate
PubChem CID11740058
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Namediethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1NNC(=O)c1ccccc1
InChIInChI=1S/C18H19N3O6/c1-3-26-17(24)12-10-13(18(25)27-4-2)16(23)19-14(12)20-21-15(22)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyVQASBKZLGJKGHA-UHFFFAOYSA-N
XLogP1.49
TPSA126.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 4563476
ethyl 2-(2-acetylhydrazinyl)-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
CID 14144335
ethyl benzoate;phthalic acid
CID 159584831
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
CID 6501538
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
CID 158970570
CID 158970570
ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate
CID 10411376
ethyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 14144337
ethyl 2-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]benzoate
CID 110600656

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate (CID 11740058) is diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate is CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1NNC(=O)c1ccccc1.
What is the InChIKey of diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate?
The InChIKey is VQASBKZLGJKGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-3-26-17(24)12-10-13(18(25)27-4-2)16(23)19-14(12)20-21-15(22)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate?
diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate has a molecular weight of 373.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 11740058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).