6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile

C16H16N4O2 — CID 135544692

IUPAC6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1cccc(N/N=C/c2c(C)c(C#N)c(=O)n(C)c2O)c1
InChIInChI=1S/C16H16N4O2/c1-10-5-4-6-12(7-10)19-18-9-14-11(2)13(8-17)15(21)20(3)16(14)22/h4-7,9,19,22H,1-3H3/b18-9+
InChIKeyANXJVXKWZIXFLE-GIJQJNRQSA-N
MW296.33 g/mol
LogP2.03
Rot. Bonds3

About 6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile

6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 135544692) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile
PubChem CID135544692
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1cccc(N/N=C/c2c(C)c(C#N)c(=O)n(C)c2O)c1
InChIInChI=1S/C16H16N4O2/c1-10-5-4-6-12(7-10)19-18-9-14-11(2)13(8-17)15(21)20(3)16(14)22/h4-7,9,19,22H,1-3H3/b18-9+
InChIKeyANXJVXKWZIXFLE-GIJQJNRQSA-N
XLogP2.03
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
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

N-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzenesulfonamide
CID 851490
5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 4194159
5-[[2-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]phenyl]iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 5080155
6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile
CID 5127810
(1E)-1-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]-3-(2,3-dichlorophenyl)urea
CID 135615433
(1Z)-1-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylidene]-3-(2,3-dichlorophenyl)urea
CID 135699774
4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-methylbenzenesulfonamide
CID 5095728
5-[(E)-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 135698840
5-[(2-bromo-4-nitrophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 135668575
methyl 2-chloro-5-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzoate
CID 135619866
6-hydroxy-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 135543185
4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N,N-diethylbenzenesulfonamide
CID 1021405

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile (CID 135544692) is 6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile is Cc1cccc(N/N=C/c2c(C)c(C#N)c(=O)n(C)c2O)c1.
What is the InChIKey of 6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is ANXJVXKWZIXFLE-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-5-4-6-12(7-10)19-18-9-14-11(2)13(8-17)15(21)20(3)16(14)22/h4-7,9,19,22H,1-3H3/b18-9+.
What are the key properties of 6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile?
6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135544692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).