5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile

C23H34N2O3 — CID 19115577

IUPAC5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
SMILESCCCCCn1c(O)c(C(=O)C2CCC(CCCC)CC2)c(C)c(C#N)c1=O
InChIInChI=1S/C23H34N2O3/c1-4-6-8-14-25-22(27)19(15-24)16(3)20(23(25)28)21(26)18-12-10-17(11-13-18)9-7-5-2/h17-18,28H,4-14H2,1-3H3
InChIKeyGSFDLUYUOWNRSI-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.10
Rot. Bonds9

About 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile

5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile (PubChem CID 19115577) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
PubChem CID19115577
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
SMILESCCCCCn1c(O)c(C(=O)C2CCC(CCCC)CC2)c(C)c(C#N)c1=O
InChIInChI=1S/C23H34N2O3/c1-4-6-8-14-25-22(27)19(15-24)16(3)20(23(25)28)21(26)18-12-10-17(11-13-18)9-7-5-2/h17-18,28H,4-14H2,1-3H3
InChIKeyGSFDLUYUOWNRSI-UHFFFAOYSA-N
XLogP5.10
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-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

1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115979
5-(4-butylcyclohexanecarbonyl)-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118121
5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116381
5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19117719
5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonitrile
CID 19117585
6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115536
5-(4-bromobenzoyl)-1-hexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118689
1-hexyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118774
1-hexyl-6-hydroxy-4-methyl-2-oxo-5-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]pyridine-3-carbonitrile
CID 19118772
1-(3-butoxypropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 91056744
5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115507
1-butyl-5-(4-hexoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115381

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile?
The IUPAC name of 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile (CID 19115577) is 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile?
The canonical SMILES for 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile is CCCCCn1c(O)c(C(=O)C2CCC(CCCC)CC2)c(C)c(C#N)c1=O.
What is the InChIKey of 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile?
The InChIKey is GSFDLUYUOWNRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-4-6-8-14-25-22(27)19(15-24)16(3)20(23(25)28)21(26)18-12-10-17(11-13-18)9-7-5-2/h17-18,28H,4-14H2,1-3H3.
What are the key properties of 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile?
5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile has a molecular weight of 386.54 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile is sourced from PubChem (CID 19115577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).