6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide

C13H17ClN2OS — CID 103709555

IUPAC6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
SMILESCCSC1CCC(NC(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C13H17ClN2OS/c1-2-18-11-5-4-10(7-11)16-13(17)9-3-6-12(14)15-8-9/h3,6,8,10-11H,2,4-5,7H2,1H3,(H,16,17)
InChIKeyBWAUDDLRALCBCN-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.14
Rot. Bonds4

About 6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide

6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide (PubChem CID 103709555) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
PubChem CID103709555
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
SMILESCCSC1CCC(NC(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C13H17ClN2OS/c1-2-18-11-5-4-10(7-11)16-13(17)9-3-6-12(14)15-8-9/h3,6,8,10-11H,2,4-5,7H2,1H3,(H,16,17)
InChIKeyBWAUDDLRALCBCN-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.14
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

5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 103714417
N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
CID 113245262
2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
CID 106812168
4-chloro-N-(3-ethylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103714414
2-(ethylamino)-N-(3-ethylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103738205
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
CID 102610570
5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 103709475
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
CID 104578722
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 22318688

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide (CID 103709555) is 6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide is CCSC1CCC(NC(=O)c2ccc(Cl)nc2)C1.
What is the InChIKey of 6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide?
The InChIKey is BWAUDDLRALCBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-2-18-11-5-4-10(7-11)16-13(17)9-3-6-12(14)15-8-9/h3,6,8,10-11H,2,4-5,7H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide?
6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide has a molecular weight of 284.81 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 103709555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).