N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide

C13H11BrN2O2 — CID 103337253

IUPACN-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C13H11BrN2O2/c1-8-2-3-9(14)6-11(8)16-13(18)10-7-15-5-4-12(10)17/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyZACLJTZQXSRHFJ-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.70
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide

N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337253) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337253
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C13H11BrN2O2/c1-8-2-3-9(14)6-11(8)16-13(18)10-7-15-5-4-12(10)17/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyZACLJTZQXSRHFJ-UHFFFAOYSA-N
XLogP2.70
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 23633101
N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 23633098
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzamide
CID 61375909
N-(2-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336940
N-(2,6-dimethylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 23633112
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43806378
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 103337253) is N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide is Cc1ccc(Br)cc1NC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZACLJTZQXSRHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-8-2-3-9(14)6-11(8)16-13(18)10-7-15-5-4-12(10)17/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).