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

C17H18N4O2 — CID 139199772

IUPAC5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C#N)c(C)c(/N=N/c2cccc(C)c2C)c1=O
InChIInChI=1S/C17H18N4O2/c1-5-21-16(22)13(9-18)12(4)15(17(21)23)20-19-14-8-6-7-10(2)11(14)3/h6-8,22H,5H2,1-4H3/b20-19+
InChIKeyRPXRAEDAFZADLM-FMQUCBEESA-N
MW310.36 g/mol
LogP3.79
Rot. Bonds3

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

5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 139199772) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID139199772
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C#N)c(C)c(/N=N/c2cccc(C)c2C)c1=O
InChIInChI=1S/C17H18N4O2/c1-5-21-16(22)13(9-18)12(4)15(17(21)23)20-19-14-8-6-7-10(2)11(14)3/h6-8,22H,5H2,1-4H3/b20-19+
InChIKeyRPXRAEDAFZADLM-FMQUCBEESA-N
XLogP3.79
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.79
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 139199772) is 5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is CCn1c(O)c(C#N)c(C)c(/N=N/c2cccc(C)c2C)c1=O.
What is the InChIKey of 5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is RPXRAEDAFZADLM-FMQUCBEESA-N. The full InChI is InChI=1S/C17H18N4O2/c1-5-21-16(22)13(9-18)12(4)15(17(21)23)20-19-14-8-6-7-10(2)11(14)3/h6-8,22H,5H2,1-4H3/b20-19+.
What are the key properties of 5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
5-[(2,3-dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 3.79, 3 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]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 139199772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).