5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

C21H18N4O3 — CID 136677012

IUPAC5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(/N=N/c2c(-c3ccccc3)[nH]c(=O)c(C#N)c2C)c(OC)c1
InChIInChI=1S/C21H18N4O3/c1-13-16(12-22)21(26)23-20(14-7-5-4-6-8-14)19(13)25-24-17-10-9-15(27-2)11-18(17)28-3/h4-11H,1-3H3,(H,23,26)/b25-24+
InChIKeyZCFCYTJSPCJKKP-OCOZRVBESA-N
MW374.40 g/mol
LogP4.65
Rot. Bonds5

About 5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 136677012) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
PubChem CID136677012
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(/N=N/c2c(-c3ccccc3)[nH]c(=O)c(C#N)c2C)c(OC)c1
InChIInChI=1S/C21H18N4O3/c1-13-16(12-22)21(26)23-20(14-7-5-4-6-8-14)19(13)25-24-17-10-9-15(27-2)11-18(17)28-3/h4-11H,1-3H3,(H,23,26)/b25-24+
InChIKeyZCFCYTJSPCJKKP-OCOZRVBESA-N
XLogP4.65
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.65
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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Related Compounds

5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 137207284
6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82120081
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 136677013
2-(4-methoxyanilino)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 135422401
4-(4-methoxyphenyl)-6-oxo-2-(2-phenylanilino)-1H-pyrimidine-5-carbonitrile
CID 135682212
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile
CID 15398786
6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 136862773
2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 146171449
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (CID 136677012) is 5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is COc1ccc(/N=N/c2c(-c3ccccc3)[nH]c(=O)c(C#N)c2C)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is ZCFCYTJSPCJKKP-OCOZRVBESA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-16(12-22)21(26)23-20(14-7-5-4-6-8-14)19(13)25-24-17-10-9-15(27-2)11-18(17)28-3/h4-11H,1-3H3,(H,23,26)/b25-24+.
What are the key properties of 5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 374.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 136677012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).