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

C12H11ClN2OS — CID 43398740

IUPAC4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ccn1)c1cccs1
InChIInChI=1S/C12H11ClN2OS/c1-8(11-3-2-6-17-11)15-12(16)10-7-9(13)4-5-14-10/h2-8H,1H3,(H,15,16)
InChIKeyOVPOIAXKLJXMAR-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.29
Rot. Bonds3

About 4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide

4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 43398740) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID43398740
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ccn1)c1cccs1
InChIInChI=1S/C12H11ClN2OS/c1-8(11-3-2-6-17-11)15-12(16)10-7-9(13)4-5-14-10/h2-8H,1H3,(H,15,16)
InChIKeyOVPOIAXKLJXMAR-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

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Related Compounds

4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 47316513
4-chloro-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 43399481
5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107235300
4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62234351
6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 106550862
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 86917672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 43398740) is 4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is CC(NC(=O)c1cc(Cl)ccn1)c1cccs1.
What is the InChIKey of 4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is OVPOIAXKLJXMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8(11-3-2-6-17-11)15-12(16)10-7-9(13)4-5-14-10/h2-8H,1H3,(H,15,16).
What are the key properties of 4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
4-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 4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 43398740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).