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

C12H11ClN2OS — CID 62233796

IUPAC6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1cccs1)c1cccc(Cl)n1
InChIInChI=1S/C12H11ClN2OS/c13-11-5-1-4-10(15-11)12(16)14-7-6-9-3-2-8-17-9/h1-5,8H,6-7H2,(H,14,16)
InChIKeyKPBOIYXSUSXIAF-UHFFFAOYSA-N
MW266.75 g/mol
LogP2.77
Rot. Bonds4

About 6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide

6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 62233796) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID62233796
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1cccs1)c1cccc(Cl)n1
InChIInChI=1S/C12H11ClN2OS/c13-11-5-1-4-10(15-11)12(16)14-7-6-9-3-2-8-17-9/h1-5,8H,6-7H2,(H,14,16)
InChIKeyKPBOIYXSUSXIAF-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'}

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Related Compounds

6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62240294
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 110699104
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427327
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103744039
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119687938
2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62167624
thiophen-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 63840046
1-(2,6-dichloro-4-pyridinyl)-3-(2-thiophen-2-ylethyl)urea
CID 3286045

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 62233796) is 6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide is O=C(NCCc1cccs1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is KPBOIYXSUSXIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-11-5-1-4-10(15-11)12(16)14-7-6-9-3-2-8-17-9/h1-5,8H,6-7H2,(H,14,16).
What are the key properties of 6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-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 6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62233796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).