6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

C11H15ClN2OS — CID 115902016

IUPAC6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(CSC)NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2OS/c1-3-8(7-16-2)13-11(15)9-5-4-6-10(12)14-9/h4-6,8H,3,7H2,1-2H3,(H,13,15)
InChIKeyUHWFJGKEWVEHNF-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.61
Rot. Bonds5

About 6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 115902016) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
PubChem CID115902016
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCCC(CSC)NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2OS/c1-3-8(7-16-2)13-11(15)9-5-4-6-10(12)14-9/h4-6,8H,3,7H2,1-2H3,(H,13,15)
InChIKeyUHWFJGKEWVEHNF-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Related Compounds

6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
6-chloro-N-[(3R)-4-oxohexan-3-yl]pyridine-2-carboxamide
CID 129388932
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 114294381
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112692061
6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673906
6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
CID 55069173
6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115635837
6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 55052492
6-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-2-carboxamide
CID 62233322
2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 104918352

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (CID 115902016) is 6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is CCC(CSC)NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is UHWFJGKEWVEHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-3-8(7-16-2)13-11(15)9-5-4-6-10(12)14-9/h4-6,8H,3,7H2,1-2H3,(H,13,15).
What are the key properties of 6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 115902016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).