6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide

C13H13ClN2OS — CID 47316391

IUPAC6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(Cl)nc1)c1cccs1
InChIInChI=1S/C13H13ClN2OS/c1-2-10(11-4-3-7-18-11)16-13(17)9-5-6-12(14)15-8-9/h3-8,10H,2H2,1H3,(H,16,17)
InChIKeyHMGWQPLLDQBHQK-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.68
Rot. Bonds4

About 6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide

6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide (PubChem CID 47316391) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
PubChem CID47316391
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(Cl)nc1)c1cccs1
InChIInChI=1S/C13H13ClN2OS/c1-2-10(11-4-3-7-18-11)16-13(17)9-5-6-12(14)15-8-9/h3-8,10H,2H2,1H3,(H,16,17)
InChIKeyHMGWQPLLDQBHQK-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

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)pyridine-3-carboxamide
CID 42907558
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005
5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 61381170
6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 66464915
2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62179108
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 47316513
5-(methylamino)-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104640542
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592
5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 55229031
3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
6-chloro-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 9479307

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide (CID 47316391) is 6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide is CCC(NC(=O)c1ccc(Cl)nc1)c1cccs1.
What is the InChIKey of 6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide?
The InChIKey is HMGWQPLLDQBHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-2-10(11-4-3-7-18-11)16-13(17)9-5-6-12(14)15-8-9/h3-8,10H,2H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide?
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-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 6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 47316391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).