1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C20H22N4O2 — CID 135835697

IUPAC1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1ccc(C)c(/N=N/c2c(C)c(C#N)c(O)n(C3CCCC3)c2=O)c1
InChIInChI=1S/C20H22N4O2/c1-12-8-9-13(2)17(10-12)22-23-18-14(3)16(11-21)19(25)24(20(18)26)15-6-4-5-7-15/h8-10,15,25H,4-7H2,1-3H3/b23-22+
InChIKeyVYXUFZJRQOUUGU-GHVJWSGMSA-N
MW350.42 g/mol
LogP4.88
Rot. Bonds3

About 1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 135835697) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID135835697
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1ccc(C)c(/N=N/c2c(C)c(C#N)c(O)n(C3CCCC3)c2=O)c1
InChIInChI=1S/C20H22N4O2/c1-12-8-9-13(2)17(10-12)22-23-18-14(3)16(11-21)19(25)24(20(18)26)15-6-4-5-7-15/h8-10,15,25H,4-7H2,1-3H3/b23-22+
InChIKeyVYXUFZJRQOUUGU-GHVJWSGMSA-N
XLogP4.88
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.88
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-chlorophenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835054
5-[(3-chloro-4-methoxyphenyl)diazenyl]-1-cyclohexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835501
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
1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19116138
5-[(2-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 135835401
5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116280
1-cyclohexyl-6-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668900
5-[(2-bromophenyl)iminomethyl]-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668752
1-cyclopropyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 84662487
1-hexyl-2-hydroxy-4-methyl-5-[(2-methyl-5-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835884
5-[(2,3-dimethylphenyl)diazenyl]-2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 4770438

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 135835697) is 1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is Cc1ccc(C)c(/N=N/c2c(C)c(C#N)c(O)n(C3CCCC3)c2=O)c1.
What is the InChIKey of 1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is VYXUFZJRQOUUGU-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-8-9-13(2)17(10-12)22-23-18-14(3)16(11-21)19(25)24(20(18)26)15-6-4-5-7-15/h8-10,15,25H,4-7H2,1-3H3/b23-22+.
What are the key properties of 1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 350.42 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[(2,5-dimethylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).