5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile

C11H14N2O2 — CID 130019959

IUPAC5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile
SMILESCCC1C(C(C)=O)=C(C)NC(=O)C1C#N
InChIInChI=1S/C11H14N2O2/c1-4-8-9(5-12)11(15)13-6(2)10(8)7(3)14/h8-9H,4H2,1-3H3,(H,13,15)
InChIKeySJEQOUJONIOPCB-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.15
Rot. Bonds2

About 5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile

5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile (PubChem CID 130019959) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile
PubChem CID130019959
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile
SMILESCCC1C(C(C)=O)=C(C)NC(=O)C1C#N
InChIInChI=1S/C11H14N2O2/c1-4-8-9(5-12)11(15)13-6(2)10(8)7(3)14/h8-9H,4H2,1-3H3,(H,13,15)
InChIKeySJEQOUJONIOPCB-UHFFFAOYSA-N
XLogP1.15
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-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-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile (CID 130019959) is 5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile is CCC1C(C(C)=O)=C(C)NC(=O)C1C#N.
What is the InChIKey of 5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
The InChIKey is SJEQOUJONIOPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-8-9(5-12)11(15)13-6(2)10(8)7(3)14/h8-9H,4H2,1-3H3,(H,13,15).
What are the key properties of 5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130019959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).