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

C9H10Cl2N2OS — CID 60693650

IUPAC2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
SMILESCSCCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H10Cl2N2OS/c1-15-3-2-12-9(14)6-4-7(10)13-8(11)5-6/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeyJNPFPEGLDYJUND-UHFFFAOYSA-N
MW265.17 g/mol
LogP2.48
Rot. Bonds4

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

2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide (PubChem CID 60693650) has the molecular formula C9H10Cl2N2OS and a molecular weight of 265.17 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
PubChem CID60693650
Molecular FormulaC9H10Cl2N2OS
Molecular Weight265.17 g/mol
Exact Mass263.99
IUPAC Name2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
SMILESCSCCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H10Cl2N2OS/c1-15-3-2-12-9(14)6-4-7(10)13-8(11)5-6/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeyJNPFPEGLDYJUND-UHFFFAOYSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 52.48
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-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide
CID 58451849
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 104952363
2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 61149972
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
2-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-methylpyridine-4-carboxamide
CID 104954990
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107271725
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide
CID 115866916

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide (CID 60693650) is 2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide is CSCCNC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
The InChIKey is JNPFPEGLDYJUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2OS/c1-15-3-2-12-9(14)6-4-7(10)13-8(11)5-6/h4-5H,2-3H2,1H3,(H,12,14).
What are the key properties of 2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide has a molecular weight of 265.17 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 60693650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).