methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate

C16H15N3O4 — CID 8883336

IUPACmethyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C16H15N3O4/c1-23-16(22)13-7-5-12(6-8-13)10-17-18-14(20)11-19-9-3-2-4-15(19)21/h2-10H,11H2,1H3,(H,18,20)/b17-10-
InChIKeyLVQZRNUACLJIGH-YVLHZVERSA-N
MW313.31 g/mol
LogP0.79
Rot. Bonds5

About methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate

methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 8883336) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID8883336
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Namemethyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C16H15N3O4/c1-23-16(22)13-7-5-12(6-8-13)10-17-18-14(20)11-19-9-3-2-4-15(19)21/h2-10H,11H2,1H3,(H,18,20)/b17-10-
InChIKeyLVQZRNUACLJIGH-YVLHZVERSA-N
XLogP0.79
TPSA89.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxo-1-pyridinyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 8883215
2-(2-oxo-1-pyridinyl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 8883298
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883606
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 135702532
N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883525
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
methyl 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
CID 5393689
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8884016
methyl 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 46804575
N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882819
methyl 4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]benzoate
CID 5400623
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882962

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate (CID 8883336) is methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(/C=N\NC(=O)Cn2ccccc2=O)cc1.
What is the InChIKey of methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is LVQZRNUACLJIGH-YVLHZVERSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-23-16(22)13-7-5-12(6-8-13)10-17-18-14(20)11-19-9-3-2-4-15(19)21/h2-10H,11H2,1H3,(H,18,20)/b17-10-.
What are the key properties of methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate?
methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 313.31 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 8883336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).