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

C10H12Cl2N2OS — CID 112698010

IUPAC2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
SMILESCSCCN(C)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H12Cl2N2OS/c1-14(3-4-16-2)10(15)7-5-8(11)13-9(12)6-7/h5-6H,3-4H2,1-2H3
InChIKeyXLRONMKMLKDGJM-UHFFFAOYSA-N
MW279.19 g/mol
LogP2.82
Rot. Bonds4

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

2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide (PubChem CID 112698010) has the molecular formula C10H12Cl2N2OS and a molecular weight of 279.19 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
PubChem CID112698010
Molecular FormulaC10H12Cl2N2OS
Molecular Weight279.19 g/mol
Exact Mass278.00
IUPAC Name2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
SMILESCSCCN(C)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H12Cl2N2OS/c1-14(3-4-16-2)10(15)7-5-8(11)13-9(12)6-7/h5-6H,3-4H2,1-2H3
InChIKeyXLRONMKMLKDGJM-UHFFFAOYSA-N
XLogP2.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide
CID 55226569
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 71856556
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
CID 79390037
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide (CID 112698010) is 2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide is CSCCN(C)C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
The InChIKey is XLRONMKMLKDGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2OS/c1-14(3-4-16-2)10(15)7-5-8(11)13-9(12)6-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide has a molecular weight of 279.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 112698010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).