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

C11H8BrN3O2 — CID 75434563

IUPACN-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide
SMILESO=C(Nc1c[nH]cc(Br)c1=O)c1ccccn1
InChIInChI=1S/C11H8BrN3O2/c12-7-5-13-6-9(10(7)16)15-11(17)8-3-1-2-4-14-8/h1-6H,(H,13,16)(H,15,17)
InChIKeyKAWGERPAYVKJEJ-UHFFFAOYSA-N
MW294.11 g/mol
LogP1.78
Rot. Bonds2

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

N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide (PubChem CID 75434563) has the molecular formula C11H8BrN3O2 and a molecular weight of 294.11 g/mol. Its IUPAC name is N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide
PubChem CID75434563
Molecular FormulaC11H8BrN3O2
Molecular Weight294.11 g/mol
Exact Mass292.98
IUPAC NameN-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide
SMILESO=C(Nc1c[nH]cc(Br)c1=O)c1ccccn1
InChIInChI=1S/C11H8BrN3O2/c12-7-5-13-6-9(10(7)16)15-11(17)8-3-1-2-4-14-8/h1-6H,(H,13,16)(H,15,17)
InChIKeyKAWGERPAYVKJEJ-UHFFFAOYSA-N
XLogP1.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689
N-(2-methyl-1,3-dioxoisoindol-4-yl)pyridine-2-carboxamide
CID 110745316
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
N'-(4,5-dibromothiophene-2-carbonyl)pyridine-2-carbohydrazide
CID 9330718
N-(2-carbamothioylphenyl)pyridine-2-carboxamide
CID 24701542
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide (CID 75434563) is N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide is O=C(Nc1c[nH]cc(Br)c1=O)c1ccccn1.
What is the InChIKey of N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide?
The InChIKey is KAWGERPAYVKJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2/c12-7-5-13-6-9(10(7)16)15-11(17)8-3-1-2-4-14-8/h1-6H,(H,13,16)(H,15,17).
What are the key properties of N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide?
N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide has a molecular weight of 294.11 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 75434563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).