N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide

C13H10BrN3O2 — CID 75514307

IUPACN-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Br)cn2)nc1
InChIInChI=1S/C13H10BrN3O2/c1-8(18)9-2-5-12(16-6-9)17-13(19)11-4-3-10(14)7-15-11/h2-7H,1H3,(H,16,17,19)
InChIKeyVJFUUYXFAVSJAO-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.69
Rot. Bonds3

About N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide

N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide (PubChem CID 75514307) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide
PubChem CID75514307
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC NameN-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Br)cn2)nc1
InChIInChI=1S/C13H10BrN3O2/c1-8(18)9-2-5-12(16-6-9)17-13(19)11-4-3-10(14)7-15-11/h2-7H,1H3,(H,16,17,19)
InChIKeyVJFUUYXFAVSJAO-UHFFFAOYSA-N
XLogP2.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(5-bromo-2-pyridinyl)-4-methylsulfonylbenzamide
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3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
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CID 43132088
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide?
The IUPAC name of N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide (CID 75514307) is N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(Br)cn2)nc1.
What is the InChIKey of N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide?
The InChIKey is VJFUUYXFAVSJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c1-8(18)9-2-5-12(16-6-9)17-13(19)11-4-3-10(14)7-15-11/h2-7H,1H3,(H,16,17,19).
What are the key properties of N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide?
N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide has a molecular weight of 320.15 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 75514307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).