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

C19H19ClN4O2 — CID 135835054

IUPAC5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C2CCCCC2)c(=O)c1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O2/c1-12-16(11-21)18(25)24(15-8-3-2-4-9-15)19(26)17(12)23-22-14-7-5-6-13(20)10-14/h5-7,10,15,25H,2-4,8-9H2,1H3/b23-22+
InChIKeyYUCQFBQZKSLNEV-GHVJWSGMSA-N
MW370.84 g/mol
LogP5.31
Rot. Bonds3

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

5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 135835054) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID135835054
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C2CCCCC2)c(=O)c1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O2/c1-12-16(11-21)18(25)24(15-8-3-2-4-9-15)19(26)17(12)23-22-14-7-5-6-13(20)10-14/h5-7,10,15,25H,2-4,8-9H2,1H3/b23-22+
InChIKeyYUCQFBQZKSLNEV-GHVJWSGMSA-N
XLogP5.31
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.31
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-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile
CID 135835392
5-[(3-chloro-4-methoxyphenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835501
1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835697
5-[(3-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 135835050
5-[(3-chlorophenyl)diazenyl]-1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835056
5-[(5-cyano-1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-1-N,1-N,3-N,3-N-tetrakis(2-ethylhexyl)benzene-1,3-dicarboxamide
CID 136992944
5-[(4-chlorophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135669111
1-cyclohexyl-6-hydroxy-4-methyl-2-oxo-5-[[3-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile
CID 135669195
1-benzyl-2-hydroxy-4-methyl-5-[(3-methylphenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835593
5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116240
5-[(4-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 135835864
2-hydroxy-4-methyl-5-[(3-nitrophenyl)diazenyl]-6-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carbonitrile
CID 135835116

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 135835054) is 5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is Cc1c(C#N)c(O)n(C2CCCCC2)c(=O)c1/N=N/c1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is YUCQFBQZKSLNEV-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-16(11-21)18(25)24(15-8-3-2-4-9-15)19(26)17(12)23-22-14-7-5-6-13(20)10-14/h5-7,10,15,25H,2-4,8-9H2,1H3/b23-22+.
What are the key properties of 5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 370.84 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).