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

C22H32N2O3 — CID 19115979

IUPAC1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(C(C)CC)c2O)CC1
InChIInChI=1S/C22H32N2O3/c1-5-7-8-16-9-11-17(12-10-16)20(25)19-15(4)18(13-23)21(26)24(22(19)27)14(3)6-2/h14,16-17,27H,5-12H2,1-4H3
InChIKeyORWJTGHLLUDJIO-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.88
Rot. Bonds7

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

1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115979) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115979
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(C(C)CC)c2O)CC1
InChIInChI=1S/C22H32N2O3/c1-5-7-8-16-9-11-17(12-10-16)20(25)19-15(4)18(13-23)21(26)24(22(19)27)14(3)6-2/h14,16-17,27H,5-12H2,1-4H3
InChIKeyORWJTGHLLUDJIO-UHFFFAOYSA-N
XLogP4.88
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.88
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
5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19117719
5-(4-butylcyclohexanecarbonyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116381
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-benzoyl-1-butan-2-yl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115867
1-butan-2-yl-6-hydroxy-4-methyl-5-(4-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19115868
1-butan-2-yl-6-hydroxy-4-methyl-2-oxo-5-(4-pentoxybenzoyl)pyridine-3-carbonitrile
CID 19115915
1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115876
1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115905
6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115536
1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115957

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115979) is 1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCCCC1CCC(C(=O)c2c(C)c(C#N)c(=O)n(C(C)CC)c2O)CC1.
What is the InChIKey of 1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ORWJTGHLLUDJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-5-7-8-16-9-11-17(12-10-16)20(25)19-15(4)18(13-23)21(26)24(22(19)27)14(3)6-2/h14,16-17,27H,5-12H2,1-4H3.
What are the key properties of 1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 372.51 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-(4-butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).