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

C20H15BrN4O2 — CID 135835527

IUPAC1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(Cc2ccccc2)c(=O)c1/N=N/c1ccccc1Br
InChIInChI=1S/C20H15BrN4O2/c1-13-15(11-22)19(26)25(12-14-7-3-2-4-8-14)20(27)18(13)24-23-17-10-6-5-9-16(17)21/h2-10,26H,12H2,1H3/b24-23+
InChIKeyUVIJSSVWPHLXNS-WCWDXBQESA-N
MW423.27 g/mol
LogP4.96
Rot. Bonds4

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

1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 135835527) has the molecular formula C20H15BrN4O2 and a molecular weight of 423.27 g/mol. Its IUPAC name is 1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID135835527
Molecular FormulaC20H15BrN4O2
Molecular Weight423.27 g/mol
Exact Mass422.04
IUPAC Name1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(Cc2ccccc2)c(=O)c1/N=N/c1ccccc1Br
InChIInChI=1S/C20H15BrN4O2/c1-13-15(11-22)19(26)25(12-14-7-3-2-4-8-14)20(27)18(13)24-23-17-10-6-5-9-16(17)21/h2-10,26H,12H2,1H3/b24-23+
InChIKeyUVIJSSVWPHLXNS-WCWDXBQESA-N
XLogP4.96
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 54.96
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'}

Analyze 1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835511
1-benzyl-5-[(3-chloro-2-methylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835615
5-[(2-bromophenyl)diazenyl]-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835521
1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835593
2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135835485
5-[(2-benzoylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135836049
1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile
CID 135835481
5-[(2-chlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835171
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135835249
5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 4770438
5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
CID 135835195
5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 135835167

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 135835527) is 1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is Cc1c(C#N)c(O)n(Cc2ccccc2)c(=O)c1/N=N/c1ccccc1Br.
What is the InChIKey of 1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is UVIJSSVWPHLXNS-WCWDXBQESA-N. The full InChI is InChI=1S/C20H15BrN4O2/c1-13-15(11-22)19(26)25(12-14-7-3-2-4-8-14)20(27)18(13)24-23-17-10-6-5-9-16(17)21/h2-10,26H,12H2,1H3/b24-23+.
What are the key properties of 1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 423.27 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(2-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).