2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

C12H11ClN2OS — CID 18071300

IUPAC2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cccnc1Cl
InChIInChI=1S/C12H11ClN2OS/c13-11-10(4-1-6-14-11)12(16)15-7-5-9-3-2-8-17-9/h1-4,6,8H,5,7H2,(H,15,16)
InChIKeyZPBZCOWVDYEYME-UHFFFAOYSA-N
MW266.75 g/mol
LogP2.77
Rot. Bonds4

About 2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 18071300) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID18071300
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cccnc1Cl
InChIInChI=1S/C12H11ClN2OS/c13-11-10(4-1-6-14-11)12(16)15-7-5-9-3-2-8-17-9/h1-4,6,8H,5,7H2,(H,15,16)
InChIKeyZPBZCOWVDYEYME-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-thiophen-2-ylethyl)pyridine-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

Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 8864600
2-(difluoromethylsulfanyl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 78806718
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 103803074
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 110699104
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 18071300) is 2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is O=C(NCCc1cccs1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is ZPBZCOWVDYEYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-11-10(4-1-6-14-11)12(16)15-7-5-9-3-2-8-17-9/h1-4,6,8H,5,7H2,(H,15,16).
What are the key properties of 2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 266.75 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 18071300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).