5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile

C11H12N2O2 — CID 1475376

IUPAC5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(C)c(C(C)=O)cc(C#N)c1=O
InChIInChI=1S/C11H12N2O2/c1-4-13-7(2)10(8(3)14)5-9(6-12)11(13)15/h5H,4H2,1-3H3
InChIKeyRNBGZVMHLANRLS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.25
Rot. Bonds2

About 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile

5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 1475376) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID1475376
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(C)c(C(C)=O)cc(C#N)c1=O
InChIInChI=1S/C11H12N2O2/c1-4-13-7(2)10(8(3)14)5-9(6-12)11(13)15/h5H,4H2,1-3H3
InChIKeyRNBGZVMHLANRLS-UHFFFAOYSA-N
XLogP1.25
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile 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-ethyl-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile (CID 1475376) is 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile is CCn1c(C)c(C(C)=O)cc(C#N)c1=O.
What is the InChIKey of 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is RNBGZVMHLANRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-4-13-7(2)10(8(3)14)5-9(6-12)11(13)15/h5H,4H2,1-3H3.
What are the key properties of 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile?
5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-ethyl-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 1475376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).