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

C13H13ClN2OS — CID 47316513

IUPAC4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cc(Cl)ccn1)c1cccs1
InChIInChI=1S/C13H13ClN2OS/c1-2-10(12-4-3-7-18-12)16-13(17)11-8-9(14)5-6-15-11/h3-8,10H,2H2,1H3,(H,16,17)
InChIKeyKOIFFOQJHNFQFU-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.68
Rot. Bonds4

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

4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide (PubChem CID 47316513) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
PubChem CID47316513
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cc(Cl)ccn1)c1cccs1
InChIInChI=1S/C13H13ClN2OS/c1-2-10(12-4-3-7-18-12)16-13(17)11-8-9(14)5-6-15-11/h3-8,10H,2H2,1H3,(H,16,17)
InChIKeyKOIFFOQJHNFQFU-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 43398740
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
5-(methylamino)-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104640542
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 55229031
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592
N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
CID 131945847
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
2-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 62179628
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 86917672
4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 110004659

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide (CID 47316513) is 4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide is CCC(NC(=O)c1cc(Cl)ccn1)c1cccs1.
What is the InChIKey of 4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The InChIKey is KOIFFOQJHNFQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-2-10(12-4-3-7-18-12)16-13(17)11-8-9(14)5-6-15-11/h3-8,10H,2H2,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide?
4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.68, 4 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-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 47316513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).