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

C13H16N2O3 — CID 19115137

IUPAC1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)C(C)C)c(C)c(C#N)c1=O
InChIInChI=1S/C13H16N2O3/c1-5-15-12(17)9(6-14)8(4)10(13(15)18)11(16)7(2)3/h7,18H,5H2,1-4H3
InChIKeyPRQMCTUVOQIAHL-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.59
Rot. Bonds3

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

1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19115137) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
PubChem CID19115137
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)C(C)C)c(C)c(C#N)c1=O
InChIInChI=1S/C13H16N2O3/c1-5-15-12(17)9(6-14)8(4)10(13(15)18)11(16)7(2)3/h7,18H,5H2,1-4H3
InChIKeyPRQMCTUVOQIAHL-UHFFFAOYSA-N
XLogP1.59
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile (CID 19115137) is 1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile is CCn1c(O)c(C(=O)C(C)C)c(C)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is PRQMCTUVOQIAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-5-15-12(17)9(6-14)8(4)10(13(15)18)11(16)7(2)3/h7,18H,5H2,1-4H3.
What are the key properties of 1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 248.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).