6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide

C12H17BrN2OS — CID 115669895

IUPAC6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
SMILESCSCCC(C)N(C)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C12H17BrN2OS/c1-9(6-7-17-3)15(2)12(16)10-4-5-11(13)14-8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyWKAIHZKDZMQYRL-UHFFFAOYSA-N
MW317.25 g/mol
LogP3.06
Rot. Bonds5

About 6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide

6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 115669895) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
PubChem CID115669895
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
SMILESCSCCC(C)N(C)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C12H17BrN2OS/c1-9(6-7-17-3)15(2)12(16)10-4-5-11(13)14-8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyWKAIHZKDZMQYRL-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 53.06
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

3-bromo-4-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103707593
3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113461448
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 66462106
6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
CID 66463467
2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115683356
3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113366826
4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115869170
2-methylpentyl 6-bromopyridine-3-carboxylate
CID 103285936
6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79484236
N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115636242
2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103765320
3-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115667187

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide (CID 115669895) is 6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide is CSCCC(C)N(C)C(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is WKAIHZKDZMQYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-9(6-7-17-3)15(2)12(16)10-4-5-11(13)14-8-10/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115669895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).