2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide

C13H15BrN4O2 — CID 51079623

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1cccn1)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H15BrN4O2/c1-10(7-18-6-2-5-15-18)16-12(19)9-17-8-11(14)3-4-13(17)20/h2-6,8,10H,7,9H2,1H3,(H,16,19)
InChIKeySDKCRAHNPHOEKG-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.01
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide (PubChem CID 51079623) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
PubChem CID51079623
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1cccn1)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C13H15BrN4O2/c1-10(7-18-6-2-5-15-18)16-12(19)9-17-8-11(14)3-4-13(17)20/h2-6,8,10H,7,9H2,1H3,(H,16,19)
InChIKeySDKCRAHNPHOEKG-UHFFFAOYSA-N
XLogP1.01
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide (CID 51079623) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide is CC(Cn1cccn1)NC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
The InChIKey is SDKCRAHNPHOEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-10(7-18-6-2-5-15-18)16-12(19)9-17-8-11(14)3-4-13(17)20/h2-6,8,10H,7,9H2,1H3,(H,16,19).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide has a molecular weight of 339.19 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 51079623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).