5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid

C12H15NO4 — CID 70430372

IUPAC5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid
SMILESCCc1cc(C(C)=O)c(=O)n(CC)c1C(=O)O
InChIInChI=1S/C12H15NO4/c1-4-8-6-9(7(3)14)11(15)13(5-2)10(8)12(16)17/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyWELDESWOEYMJLW-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.33
Rot. Bonds4

About 5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid

5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid (PubChem CID 70430372) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid
PubChem CID70430372
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid
SMILESCCc1cc(C(C)=O)c(=O)n(CC)c1C(=O)O
InChIInChI=1S/C12H15NO4/c1-4-8-6-9(7(3)14)11(15)13(5-2)10(8)12(16)17/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyWELDESWOEYMJLW-UHFFFAOYSA-N
XLogP1.33
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid (CID 70430372) is 5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid is CCc1cc(C(C)=O)c(=O)n(CC)c1C(=O)O.
What is the InChIKey of 5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is WELDESWOEYMJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-4-8-6-9(7(3)14)11(15)13(5-2)10(8)12(16)17/h6H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid?
5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1,3-diethyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 70430372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).