N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide

C14H14N2O2S — CID 18107203

IUPACN-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1cccc(NC(=O)CCC(=O)c2cccs2)n1
InChIInChI=1S/C14H14N2O2S/c1-10-4-2-6-13(15-10)16-14(18)8-7-11(17)12-5-3-9-19-12/h2-6,9H,7-8H2,1H3,(H,15,16,18)
InChIKeyAEGNGTZZCSPXBH-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.05
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 18107203) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID18107203
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1cccc(NC(=O)CCC(=O)c2cccs2)n1
InChIInChI=1S/C14H14N2O2S/c1-10-4-2-6-13(15-10)16-14(18)8-7-11(17)12-5-3-9-19-12/h2-6,9H,7-8H2,1H3,(H,15,16,18)
InChIKeyAEGNGTZZCSPXBH-UHFFFAOYSA-N
XLogP3.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide 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 N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 18107203) is N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide is Cc1cccc(NC(=O)CCC(=O)c2cccs2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is AEGNGTZZCSPXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10-4-2-6-13(15-10)16-14(18)8-7-11(17)12-5-3-9-19-12/h2-6,9H,7-8H2,1H3,(H,15,16,18).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 274.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 18107203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).