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

C20H22N2O4 — CID 19115957

IUPAC1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C(C)CC)c1O
InChIInChI=1S/C20H22N2O4/c1-5-12(3)22-19(24)15(11-21)13(4)17(20(22)25)18(23)14-9-7-8-10-16(14)26-6-2/h7-10,12,25H,5-6H2,1-4H3
InChIKeyUERVFJLEJCHSGJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.33
Rot. Bonds6

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

1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115957) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115957
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C(C)CC)c1O
InChIInChI=1S/C20H22N2O4/c1-5-12(3)22-19(24)15(11-21)13(4)17(20(22)25)18(23)14-9-7-8-10-16(14)26-6-2/h7-10,12,25H,5-6H2,1-4H3
InChIKeyUERVFJLEJCHSGJ-UHFFFAOYSA-N
XLogP3.33
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzoyl-1-butan-2-yl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115867
1-benzyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116759
1-butan-2-yl-6-hydroxy-4-methyl-5-(4-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19115868
1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116359
1-[(2-chlorophenyl)methyl]-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118500
6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
CID 19115289
1-butan-2-yl-5-(4-chlorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115876
1-butan-2-yl-6-hydroxy-4-methyl-2-oxo-5-(4-pentoxybenzoyl)pyridine-3-carbonitrile
CID 19115915
1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115905
1-butan-2-yl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)propanoyl]pyridine-3-carbonitrile
CID 19115954
1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
CID 19116226
1-butan-2-yl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115976

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115957) is 1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C(C)CC)c1O.
What is the InChIKey of 1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is UERVFJLEJCHSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-5-12(3)22-19(24)15(11-21)13(4)17(20(22)25)18(23)14-9-7-8-10-16(14)26-6-2/h7-10,12,25H,5-6H2,1-4H3.
What are the key properties of 1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 354.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).