6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide

C11H15ClN2OS — CID 115635837

IUPAC6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
SMILESCSCCCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2OS/c1-16-8-3-2-7-13-11(15)9-5-4-6-10(12)14-9/h4-6H,2-3,7-8H2,1H3,(H,13,15)
InChIKeyRDOYSFFKCXAKQV-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.61
Rot. Bonds6

About 6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide

6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide (PubChem CID 115635837) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
PubChem CID115635837
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
SMILESCSCCCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2OS/c1-16-8-3-2-7-13-11(15)9-5-4-6-10(12)14-9/h4-6H,2-3,7-8H2,1H3,(H,13,15)
InChIKeyRDOYSFFKCXAKQV-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide
CID 114129261
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284925
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819
6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
CID 62234046
6-chloro-N-(3-ethenoxypropyl)pyridine-2-carboxamide
CID 62233139
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 62239437
6-chloro-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 62234708

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide (CID 115635837) is 6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide is CSCCCCNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide?
The InChIKey is RDOYSFFKCXAKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-16-8-3-2-7-13-11(15)9-5-4-6-10(12)14-9/h4-6H,2-3,7-8H2,1H3,(H,13,15).
What are the key properties of 6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide?
6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 115635837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).