2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide

C11H15BrN2OS — CID 103755339

IUPAC2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSCC(C)CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C11H15BrN2OS/c1-8(7-16-2)6-14-11(15)9-3-4-13-10(12)5-9/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyNELJDIQRLZLIEO-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.57
Rot. Bonds5

About 2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide

2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide (PubChem CID 103755339) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
PubChem CID103755339
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSCC(C)CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C11H15BrN2OS/c1-8(7-16-2)6-14-11(15)9-3-4-13-10(12)5-9/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyNELJDIQRLZLIEO-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770404
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide
CID 106164264
2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 103754766
3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981976
2-bromo-N-butan-2-ylpyridine-4-carboxamide
CID 103751691
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959
2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964965
3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
2-bromo-N-pentan-3-ylpyridine-4-carboxamide
CID 103751828
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63961042

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide (CID 103755339) is 2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide is CSCC(C)CNC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The InChIKey is NELJDIQRLZLIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-8(7-16-2)6-14-11(15)9-3-4-13-10(12)5-9/h3-5,8H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 103755339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).