N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide

C13H11BrN2OS — CID 926519

IUPACN-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H11BrN2OS/c1-18-13-11(6-3-7-15-13)12(17)16-10-5-2-4-9(14)8-10/h2-8H,1H3,(H,16,17)
InChIKeyRNHCWEOZGVPHKF-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.82
Rot. Bonds3

About N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide

N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 926519) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID926519
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC NameN-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H11BrN2OS/c1-18-13-11(6-3-7-15-13)12(17)16-10-5-2-4-9(14)8-10/h2-8H,1H3,(H,16,17)
InChIKeyRNHCWEOZGVPHKF-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4043210
5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63154428
N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 46550282
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4290143
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359
N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632769
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide (CID 926519) is N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is RNHCWEOZGVPHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c1-18-13-11(6-3-7-15-13)12(17)16-10-5-2-4-9(14)8-10/h2-8H,1H3,(H,16,17).
What are the key properties of N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 323.22 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 926519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).