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

C20H28N2O3 — CID 19115177

IUPAC5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(CC)c2O)CC1
InChIInChI=1S/C20H28N2O3/c1-4-6-7-14-8-10-15(11-9-14)18(23)17-13(3)16(12-21)19(24)22(5-2)20(17)25/h14-15,25H,4-11H2,1-3H3
InChIKeyLAZHRJWVAOIRKL-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.93
Rot. Bonds6

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

5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115177) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115177
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(CC)c2O)CC1
InChIInChI=1S/C20H28N2O3/c1-4-6-7-14-8-10-15(11-9-14)18(23)17-13(3)16(12-21)19(24)22(5-2)20(17)25/h14-15,25H,4-11H2,1-3H3
InChIKeyLAZHRJWVAOIRKL-UHFFFAOYSA-N
XLogP3.93
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Butylcyclohexanecarbonyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19115046
1-Ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19115137
1-Ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
CID 19115138
1-Ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile
CID 19115139
6-Hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115269
6-Hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115270
6-Hydroxy-4-methyl-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile
CID 19115271
5-(4-Butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115310
1-Butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
CID 19115404
1-Butyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile
CID 19115405
1-Butyl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115444
6-Hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115537

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115177) is 5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(CC)c2O)CC1.
What is the InChIKey of 5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is LAZHRJWVAOIRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-4-6-7-14-8-10-15(11-9-14)18(23)17-13(3)16(12-21)19(24)22(5-2)20(17)25/h14-15,25H,4-11H2,1-3H3.
What are the key properties of 5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
5-(4-butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 344.46 g/mol, XLogP of 3.93, 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-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).