6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile

C23H17N5O — CID 136862773

IUPAC6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(/N=N/c2cccc3ccccc23)c(Nc2ccccc2)[nH]c(=O)c1C#N
InChIInChI=1S/C23H17N5O/c1-15-19(14-24)23(29)26-22(25-17-10-3-2-4-11-17)21(15)28-27-20-13-7-9-16-8-5-6-12-18(16)20/h2-13H,1H3,(H2,25,26,29)/b28-27+
InChIKeyDMHPTOLIHWKYMI-BYYHNAKLSA-N
MW379.42 g/mol
LogP5.87
Rot. Bonds4

About 6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile

6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 136862773) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID136862773
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(/N=N/c2cccc3ccccc23)c(Nc2ccccc2)[nH]c(=O)c1C#N
InChIInChI=1S/C23H17N5O/c1-15-19(14-24)23(29)26-22(25-17-10-3-2-4-11-17)21(15)28-27-20-13-7-9-16-8-5-6-12-18(16)20/h2-13H,1H3,(H2,25,26,29)/b28-27+
InChIKeyDMHPTOLIHWKYMI-BYYHNAKLSA-N
XLogP5.87
TPSA93.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.87
H-Bond Donors ≤ 52
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
2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135835485
6-amino-2-anilino-5-[(8-hydroxy-9,10-dioxoanthracen-1-yl)diazenyl]-4-methylpyridine-3-carbonitrile
CID 118002102
1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile
CID 135835481
2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
CID 136694231
4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 1380777
1-benzyl-5-[(3-chloro-2-methylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835615
5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 136729022
5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 137207284
2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one
CID 135850737
5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 136677012
2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide
CID 137062042

Frequently Asked Questions

What is the IUPAC name of 6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 136862773) is 6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1c(/N=N/c2cccc3ccccc23)c(Nc2ccccc2)[nH]c(=O)c1C#N.
What is the InChIKey of 6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DMHPTOLIHWKYMI-BYYHNAKLSA-N. The full InChI is InChI=1S/C23H17N5O/c1-15-19(14-24)23(29)26-22(25-17-10-3-2-4-11-17)21(15)28-27-20-13-7-9-16-8-5-6-12-18(16)20/h2-13H,1H3,(H2,25,26,29)/b28-27+.
What are the key properties of 6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 379.42 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 136862773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).