5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

C15H11N5O — CID 136729022

IUPAC5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1/N=N/c1cccc(C#N)c1
InChIInChI=1S/C15H11N5O/c1-9-13(8-17)15(21)18-10(2)14(9)20-19-12-5-3-4-11(6-12)7-16/h3-6H,1-2H3,(H,18,21)/b20-19+
InChIKeyXAYGROFROFAHAL-FMQUCBEESA-N
MW277.29 g/mol
LogP3.15
Rot. Bonds2

About 5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 136729022) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID136729022
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1/N=N/c1cccc(C#N)c1
InChIInChI=1S/C15H11N5O/c1-9-13(8-17)15(21)18-10(2)14(9)20-19-12-5-3-4-11(6-12)7-16/h3-6H,1-2H3,(H,18,21)/b20-19+
InChIKeyXAYGROFROFAHAL-FMQUCBEESA-N
XLogP3.15
TPSA105.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 136677013
5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 137207284
3-[(3-cyanophenyl)diazenyl]-4-oxo-1H-quinoline-2-carboxylic acid
CID 136638331
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
3-isocyanatobenzonitrile
CID 2733315
4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 135407267
3-(3-methyl-1-oxo-2H-isoquinolin-4-yl)benzonitrile
CID 11694572
6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 136862773
3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile
CID 11680414
5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 136677012
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 11679891
4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
CID 4918240

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 136729022) is 5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(C)c1/N=N/c1cccc(C#N)c1.
What is the InChIKey of 5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is XAYGROFROFAHAL-FMQUCBEESA-N. The full InChI is InChI=1S/C15H11N5O/c1-9-13(8-17)15(21)18-10(2)14(9)20-19-12-5-3-4-11(6-12)7-16/h3-6H,1-2H3,(H,18,21)/b20-19+.
What are the key properties of 5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 277.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 136729022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).