3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid

C10H10N2O3 — CID 53430203

IUPAC3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid
SMILESCCn1c(C)cc(C(=O)O)c(C#N)c1=O
InChIInChI=1S/C10H10N2O3/c1-3-12-6(2)4-7(10(14)15)8(5-11)9(12)13/h4H,3H2,1-2H3,(H,14,15)
InChIKeyICZNOXHZJDRCJU-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.75
Rot. Bonds2

About 3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid

3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid (PubChem CID 53430203) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid
PubChem CID53430203
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid
SMILESCCn1c(C)cc(C(=O)O)c(C#N)c1=O
InChIInChI=1S/C10H10N2O3/c1-3-12-6(2)4-7(10(14)15)8(5-11)9(12)13/h4H,3H2,1-2H3,(H,14,15)
InChIKeyICZNOXHZJDRCJU-UHFFFAOYSA-N
XLogP0.75
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-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 3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid (CID 53430203) is 3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid is CCn1c(C)cc(C(=O)O)c(C#N)c1=O.
What is the InChIKey of 3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid?
The InChIKey is ICZNOXHZJDRCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-3-12-6(2)4-7(10(14)15)8(5-11)9(12)13/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid?
3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-ethyl-6-methyl-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 53430203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).