1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile

C25H24N6O2 — CID 135835392

IUPAC1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C2CCCCC2)c(=O)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C25H24N6O2/c1-17-22(16-26)24(32)31(21-10-6-3-7-11-21)25(33)23(17)30-29-20-14-12-19(13-15-20)28-27-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,21,32H,3,6-7,10-11H2,1H3/b28-27+,30-29+
InChIKeyKKUHTIWETUWXBD-XOXGWFOHSA-N
MW440.51 g/mol
LogP7.07
Rot. Bonds5

About 1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile

1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile (PubChem CID 135835392) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile
PubChem CID135835392
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C2CCCCC2)c(=O)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C25H24N6O2/c1-17-22(16-26)24(32)31(21-10-6-3-7-11-21)25(33)23(17)30-29-20-14-12-19(13-15-20)28-27-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,21,32H,3,6-7,10-11H2,1H3/b28-27+,30-29+
InChIKeyKKUHTIWETUWXBD-XOXGWFOHSA-N
XLogP7.07
TPSA115.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile?
The IUPAC name of 1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile (CID 135835392) is 1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile?
The canonical SMILES for 1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile is Cc1c(C#N)c(O)n(C2CCCCC2)c(=O)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile?
The InChIKey is KKUHTIWETUWXBD-XOXGWFOHSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-17-22(16-26)24(32)31(21-10-6-3-7-11-21)25(33)23(17)30-29-20-14-12-19(13-15-20)28-27-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,21,32H,3,6-7,10-11H2,1H3/b28-27+,30-29+.
What are the key properties of 1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile?
1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile has a molecular weight of 440.51 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135835392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).