5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C24H34N2O3 — CID 19116381

IUPAC5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)CC1
InChIInChI=1S/C24H34N2O3/c1-3-4-8-17-11-13-18(14-12-17)22(27)21-16(2)20(15-25)23(28)26(24(21)29)19-9-6-5-7-10-19/h17-19,29H,3-14H2,1-2H3
InChIKeyGSDGUEPJMFZTLX-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.42
Rot. Bonds6

About 5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116381) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19116381
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)CC1
InChIInChI=1S/C24H34N2O3/c1-3-4-8-17-11-13-18(14-12-17)22(27)21-16(2)20(15-25)23(28)26(24(21)29)19-9-6-5-7-10-19/h17-19,29H,3-14H2,1-2H3
InChIKeyGSDGUEPJMFZTLX-UHFFFAOYSA-N
XLogP5.42
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115577
1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115979
5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19117719
5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118121
5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonitrile
CID 19117585
5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116280
1-cyclopentyl-5-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116161
1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116238
1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116274
1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116231
1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116359
1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19116138

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116381) is 5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)CC1.
What is the InChIKey of 5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is GSDGUEPJMFZTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-3-4-8-17-11-13-18(14-12-17)22(27)21-16(2)20(15-25)23(28)26(24(21)29)19-9-6-5-7-10-19/h17-19,29H,3-14H2,1-2H3.
What are the key properties of 5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 398.55 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).