6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide

C12H11ClN2OS — CID 62234351

IUPAC6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(Cl)n1)c1cccs1
InChIInChI=1S/C12H11ClN2OS/c1-8(10-5-3-7-17-10)14-12(16)9-4-2-6-11(13)15-9/h2-8H,1H3,(H,14,16)
InChIKeyCKTFZDCKZQPLSY-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.29
Rot. Bonds3

About 6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide

6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 62234351) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID62234351
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(Cl)n1)c1cccs1
InChIInChI=1S/C12H11ClN2OS/c1-8(10-5-3-7-17-10)14-12(16)9-4-2-6-11(13)15-9/h2-8H,1H3,(H,14,16)
InChIKeyCKTFZDCKZQPLSY-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.29
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-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 106550862
5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107235300
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 43398740
6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62155473
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 55052492
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 84580916
5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 47459211

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 62234351) is 6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is CC(NC(=O)c1cccc(Cl)n1)c1cccs1.
What is the InChIKey of 6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is CKTFZDCKZQPLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8(10-5-3-7-17-10)14-12(16)9-4-2-6-11(13)15-9/h2-8H,1H3,(H,14,16).
What are the key properties of 6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 266.75 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62234351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).