1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile

C21H18N4O2 — CID 135835593

IUPAC1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile
SMILESCc1cccc(/N=N/c2c(C)c(C#N)c(O)n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C21H18N4O2/c1-14-7-6-10-17(11-14)23-24-19-15(2)18(12-22)20(26)25(21(19)27)13-16-8-4-3-5-9-16/h3-11,26H,13H2,1-2H3/b24-23+
InChIKeyYFHNUCBYVBIECI-WCWDXBQESA-N
MW358.40 g/mol
LogP4.51
Rot. Bonds4

About 1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile

1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile (PubChem CID 135835593) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile
PubChem CID135835593
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile
SMILESCc1cccc(/N=N/c2c(C)c(C#N)c(O)n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C21H18N4O2/c1-14-7-6-10-17(11-14)23-24-19-15(2)18(12-22)20(26)25(21(19)27)13-16-8-4-3-5-9-16/h3-11,26H,13H2,1-2H3/b24-23+
InChIKeyYFHNUCBYVBIECI-WCWDXBQESA-N
XLogP4.51
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.51
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

1-benzyl-5-[(3-chloro-2-methylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835615
1-hexyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835581
1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835527
5-[(3-chlorophenyl)diazenyl]-1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835056
5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonitrile
CID 135835077
5-[(3-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 135835050
3-[[5-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzoic acid
CID 944396
5-[(3-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
CID 135835967
2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135835485
1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile
CID 135835287
5-[(3-acetylphenyl)diazenyl]-2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 944666
1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile
CID 135835481

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile (CID 135835593) is 1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile is Cc1cccc(/N=N/c2c(C)c(C#N)c(O)n(Cc3ccccc3)c2=O)c1.
What is the InChIKey of 1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile?
The InChIKey is YFHNUCBYVBIECI-WCWDXBQESA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-7-6-10-17(11-14)23-24-19-15(2)18(12-22)20(26)25(21(19)27)13-16-8-4-3-5-9-16/h3-11,26H,13H2,1-2H3/b24-23+.
What are the key properties of 1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile?
1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile has a molecular weight of 358.40 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).