N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide

C12H9BrN2O2 — CID 23633098

IUPACN-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1c[nH]ccc1=O
InChIInChI=1S/C12H9BrN2O2/c13-8-1-3-9(4-2-8)15-12(17)10-7-14-6-5-11(10)16/h1-7H,(H,14,16)(H,15,17)
InChIKeyZTFIRCIYNJGGDU-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.39
Rot. Bonds2

About N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide

N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 23633098) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID23633098
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC NameN-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1c[nH]ccc1=O
InChIInChI=1S/C12H9BrN2O2/c13-8-1-3-9(4-2-8)15-12(17)10-7-14-6-5-11(10)16/h1-7H,(H,14,16)(H,15,17)
InChIKeyZTFIRCIYNJGGDU-UHFFFAOYSA-N
XLogP2.39
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337253
N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 114038955
N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336735
N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 23633101
2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137416
N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 114038625
N-(2-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336940
N-[3-(1,3-oxazol-5-yl)phenyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337290
4-oxo-N-(2-sulfamoylethyl)-1H-pyridine-3-carboxamide
CID 103386588
N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336788

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 23633098) is N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1c[nH]ccc1=O.
What is the InChIKey of N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZTFIRCIYNJGGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-8-1-3-9(4-2-8)15-12(17)10-7-14-6-5-11(10)16/h1-7H,(H,14,16)(H,15,17).
What are the key properties of N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 293.12 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 23633098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).