5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile

C16H16N4O2 — CID 139199771

IUPAC5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
SMILESCc1cccc(/N=N/c2c(C)c(C#N)c(O)n(C)c2=O)c1C
InChIInChI=1S/C16H16N4O2/c1-9-6-5-7-13(10(9)2)18-19-14-11(3)12(8-17)15(21)20(4)16(14)22/h5-7,21H,1-4H3/b19-18+
InChIKeyMWIRZMAPRPQLES-VHEBQXMUSA-N
MW296.33 g/mol
LogP3.30
Rot. Bonds2

About 5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile

5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile (PubChem CID 139199771) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
PubChem CID139199771
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
SMILESCc1cccc(/N=N/c2c(C)c(C#N)c(O)n(C)c2=O)c1C
InChIInChI=1S/C16H16N4O2/c1-9-6-5-7-13(10(9)2)18-19-14-11(3)12(8-17)15(21)20(4)16(14)22/h5-7,21H,1-4H3/b19-18+
InChIKeyMWIRZMAPRPQLES-VHEBQXMUSA-N
XLogP3.30
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile (CID 139199771) is 5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile is Cc1cccc(/N=N/c2c(C)c(C#N)c(O)n(C)c2=O)c1C.
What is the InChIKey of 5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The InChIKey is MWIRZMAPRPQLES-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-9-6-5-7-13(10(9)2)18-19-14-11(3)12(8-17)15(21)20(4)16(14)22/h5-7,21H,1-4H3/b19-18+.
What are the key properties of 5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 139199771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).