N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C14H13BrN2O2 — CID 104938593

IUPACN-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C)[nH]c2=O)c1
InChIInChI=1S/C14H13BrN2O2/c1-8-5-10(15)7-11(6-8)17-14(19)12-4-3-9(2)16-13(12)18/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyXJXJFFPYSDXEIO-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.01
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 104938593) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID104938593
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C)[nH]c2=O)c1
InChIInChI=1S/C14H13BrN2O2/c1-8-5-10(15)7-11(6-8)17-14(19)12-4-3-9(2)16-13(12)18/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyXJXJFFPYSDXEIO-UHFFFAOYSA-N
XLogP3.01
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115666671
N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993657
N-(4-bromo-3-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113241584
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467
5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115596430
4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
CID 107578505
2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115590012
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 115584192
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 107578496

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 104938593) is N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(Br)cc(NC(=O)c2ccc(C)[nH]c2=O)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XJXJFFPYSDXEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-5-10(15)7-11(6-8)17-14(19)12-4-3-9(2)16-13(12)18/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 104938593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).