6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile

C13H10N2O2S — CID 15294777

IUPAC6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1C(=O)c1cccs1
InChIInChI=1S/C13H10N2O2S/c1-2-10-9(6-8(7-14)13(17)15-10)12(16)11-4-3-5-18-11/h3-6H,2H2,1H3,(H,15,17)
InChIKeyUARYHVJOPQFTKJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.10
Rot. Bonds3

About 6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile

6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile (PubChem CID 15294777) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile
PubChem CID15294777
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1C(=O)c1cccs1
InChIInChI=1S/C13H10N2O2S/c1-2-10-9(6-8(7-14)13(17)15-10)12(16)11-4-3-5-18-11/h3-6H,2H2,1H3,(H,15,17)
InChIKeyUARYHVJOPQFTKJ-UHFFFAOYSA-N
XLogP2.10
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-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

Related Compounds

4,6-dimethyl-3-[2-methyl-3-(2-thienyl)acryloyl]-2(1H)-pyridinone
CID 5721587
3-(dimethylamino)-5-ethyl-6-methyl-4-(thiophene-2-carbonyl)-1H-pyridin-2-one
CID 486994
4,6-dimethyl-3-[3-(2-thienyl)acryloyl]-2(1H)-pyridinone
CID 5720119
Pyridine-3-carbonitrile, 1,2-dihydro-5-acetyl-6-methyl-4-(2-thienyl)-2-thioxo-
CID 2746692
3-amino-5-ethyl-6-methyl-4-(thiophene-2-carbonyl)-1H-pyridin-2-one
CID 486993
2-Hydroxy-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2814582
N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide
CID 130665106
(Z)-3-amino-2-(thiophene-2-carbonyl)but-2-enenitrile
CID 135083611
2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 8005712
2-sulfanylidene-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 15893181
6-Oxo-2-[(2-oxo-2-thien-2-ylethyl)sulfanyl]-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile
CID 172003266
4,6-dimethyl-3-(2-methyl-3-thiophen-2-ylprop-2-enoyl)-1H-pyridin-2-one
CID 2844754

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile (CID 15294777) is 6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile is CCc1[nH]c(=O)c(C#N)cc1C(=O)c1cccs1.
What is the InChIKey of 6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile?
The InChIKey is UARYHVJOPQFTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-2-10-9(6-8(7-14)13(17)15-10)12(16)11-4-3-5-18-11/h3-6H,2H2,1H3,(H,15,17).
What are the key properties of 6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile?
6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile has a molecular weight of 258.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 15294777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).