5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C13H15BrN4O2 — CID 86817235

IUPAC5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCCc2ccnn2C)cc1Br
InChIInChI=1S/C13H15BrN4O2/c1-8-11(14)7-10(13(20)17-8)12(19)15-5-3-9-4-6-16-18(9)2/h4,6-7H,3,5H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyYAVOSJXEOZUENC-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.15
Rot. Bonds4

About 5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 86817235) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID86817235
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCCc2ccnn2C)cc1Br
InChIInChI=1S/C13H15BrN4O2/c1-8-11(14)7-10(13(20)17-8)12(19)15-5-3-9-4-6-16-18(9)2/h4,6-7H,3,5H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyYAVOSJXEOZUENC-UHFFFAOYSA-N
XLogP1.15
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 86817235) is 5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)NCCc2ccnn2C)cc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YAVOSJXEOZUENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-8-11(14)7-10(13(20)17-8)12(19)15-5-3-9-4-6-16-18(9)2/h4,6-7H,3,5H2,1-2H3,(H,15,19)(H,17,20).
What are the key properties of 5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86817235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).