2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide

C11H14Cl2N2OS — CID 115635819

IUPAC2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
SMILESCSCCCCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2OS/c1-17-5-3-2-4-14-11(16)8-6-9(12)15-10(13)7-8/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyCWUHFXACNSZHQV-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.26
Rot. Bonds6

About 2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide

2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide (PubChem CID 115635819) has the molecular formula C11H14Cl2N2OS and a molecular weight of 293.22 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
PubChem CID115635819
Molecular FormulaC11H14Cl2N2OS
Molecular Weight293.22 g/mol
Exact Mass292.02
IUPAC Name2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
SMILESCSCCCCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2OS/c1-17-5-3-2-4-14-11(16)8-6-9(12)15-10(13)7-8/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyCWUHFXACNSZHQV-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 53.26
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

2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
5,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115635827
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115635837
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635789
4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
CID 113488238
4-iodo-N-(5-methylsulfanylpentyl)benzamide
CID 104920149

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide (CID 115635819) is 2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide is CSCCCCNC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
The InChIKey is CWUHFXACNSZHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS/c1-17-5-3-2-4-14-11(16)8-6-9(12)15-10(13)7-8/h6-7H,2-5H2,1H3,(H,14,16).
What are the key properties of 2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide?
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide has a molecular weight of 293.22 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 115635819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).