6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide

C11H15BrN2OS — CID 103916813

IUPAC6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
SMILESCSC(C)CCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2OS/c1-8(16-2)6-7-13-11(15)9-4-3-5-10(12)14-9/h3-5,8H,6-7H2,1-2H3,(H,13,15)
InChIKeyZVFZESFFOSKYHV-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.72
Rot. Bonds5

About 6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide

6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide (PubChem CID 103916813) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
PubChem CID103916813
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
SMILESCSC(C)CCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2OS/c1-8(16-2)6-7-13-11(15)9-4-3-5-10(12)14-9/h3-5,8H,6-7H2,1-2H3,(H,13,15)
InChIKeyZVFZESFFOSKYHV-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.72
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-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
3-bromo-2-methyl-N-(3-methylsulfanylbutyl)benzamide
CID 115659875
methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
CID 18918524
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103917016
5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114037558
4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
CID 19966484
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide
CID 103875341

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide (CID 103916813) is 6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide is CSC(C)CCNC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide?
The InChIKey is ZVFZESFFOSKYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-8(16-2)6-7-13-11(15)9-4-3-5-10(12)14-9/h3-5,8H,6-7H2,1-2H3,(H,13,15).
What are the key properties of 6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide?
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 103916813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).