N-propyl-5-thiophen-2-ylpyridine-3-carboxamide

C13H14N2OS — CID 117083319

IUPACN-propyl-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(-c2cccs2)c1
InChIInChI=1S/C13H14N2OS/c1-2-5-15-13(16)11-7-10(8-14-9-11)12-4-3-6-17-12/h3-4,6-9H,2,5H2,1H3,(H,15,16)
InChIKeyJJUJXNLYMLOBTR-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.95
Rot. Bonds4

About N-propyl-5-thiophen-2-ylpyridine-3-carboxamide

N-propyl-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 117083319) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-propyl-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-5-thiophen-2-ylpyridine-3-carboxamide
PubChem CID117083319
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-propyl-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(-c2cccs2)c1
InChIInChI=1S/C13H14N2OS/c1-2-5-15-13(16)11-7-10(8-14-9-11)12-4-3-6-17-12/h3-4,6-9H,2,5H2,1H3,(H,15,16)
InChIKeyJJUJXNLYMLOBTR-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propyl-5-thiophen-2-ylpyridine-3-carboxamide 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-propyl-5-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-propyl-5-thiophen-2-ylpyridine-3-carboxamide (CID 117083319) is N-propyl-5-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-propyl-5-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-propyl-5-thiophen-2-ylpyridine-3-carboxamide is CCCNC(=O)c1cncc(-c2cccs2)c1.
What is the InChIKey of N-propyl-5-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is JJUJXNLYMLOBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-5-15-13(16)11-7-10(8-14-9-11)12-4-3-6-17-12/h3-4,6-9H,2,5H2,1H3,(H,15,16).
What are the key properties of N-propyl-5-thiophen-2-ylpyridine-3-carboxamide?
N-propyl-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 117083319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).