2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile

C19H16N6O — CID 136694231

IUPAC2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(/N=N/c2c(Nc3ccccc3)c(C#N)c(N)[nH]c2=O)cc1
InChIInChI=1S/C19H16N6O/c1-12-7-9-14(10-8-12)24-25-17-16(22-13-5-3-2-4-6-13)15(11-20)18(21)23-19(17)26/h2-10H,1H3,(H4,21,22,23,26)/b25-24+
InChIKeyBSBGGULSRAEDPQ-OCOZRVBESA-N
MW344.38 g/mol
LogP4.30
Rot. Bonds4

About 2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile

2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 136694231) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID136694231
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(/N=N/c2c(Nc3ccccc3)c(C#N)c(N)[nH]c2=O)cc1
InChIInChI=1S/C19H16N6O/c1-12-7-9-14(10-8-12)24-25-17-16(22-13-5-3-2-4-6-13)15(11-20)18(21)23-19(17)26/h2-10H,1H3,(H4,21,22,23,26)/b25-24+
InChIKeyBSBGGULSRAEDPQ-OCOZRVBESA-N
XLogP4.30
TPSA119.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.30
H-Bond Donors ≤ 53
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

6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 136862773
5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 137207284
1,4-bis(4-methylanilino)-9,10-dioxoanthracene-2,3-dicarbonitrile
CID 12840844
4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 1380777
4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one
CID 172639926
4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518521
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395284
4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 135407267
4-anilino-5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135851748
6-hydroxy-5-[(4-methylphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 766619
4,6-dimethyl-5-[(4-methylphenyl)diazenyl]-2-phenacylsulfanylpyridine-3-carbonitrile
CID 170908770

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile (CID 136694231) is 2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile is Cc1ccc(/N=N/c2c(Nc3ccccc3)c(C#N)c(N)[nH]c2=O)cc1.
What is the InChIKey of 2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BSBGGULSRAEDPQ-OCOZRVBESA-N. The full InChI is InChI=1S/C19H16N6O/c1-12-7-9-14(10-8-12)24-25-17-16(22-13-5-3-2-4-6-13)15(11-20)18(21)23-19(17)26/h2-10H,1H3,(H4,21,22,23,26)/b25-24+.
What are the key properties of 2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile?
2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 344.38 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 136694231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).