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

C14H18N2O3 — CID 19115138

IUPAC1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)CC(C)C)c(C)c(C#N)c1=O
InChIInChI=1S/C14H18N2O3/c1-5-16-13(18)10(7-15)9(4)12(14(16)19)11(17)6-8(2)3/h8,19H,5-6H2,1-4H3
InChIKeyUWTZUTZFPLGRTE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.98
Rot. Bonds4

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

1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19115138) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
PubChem CID19115138
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)CC(C)C)c(C)c(C#N)c1=O
InChIInChI=1S/C14H18N2O3/c1-5-16-13(18)10(7-15)9(4)12(14(16)19)11(17)6-8(2)3/h8,19H,5-6H2,1-4H3
InChIKeyUWTZUTZFPLGRTE-UHFFFAOYSA-N
XLogP1.98
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.98
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-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile (CID 19115138) is 1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile is CCn1c(O)c(C(=O)CC(C)C)c(C)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is UWTZUTZFPLGRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-5-16-13(18)10(7-15)9(4)12(14(16)19)11(17)6-8(2)3/h8,19H,5-6H2,1-4H3.
What are the key properties of 1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
1-ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 1.98, 4 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-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).