2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide

C11H15BrN2O2 — CID 166086144

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1cc(Br)ccc1=O
InChIInChI=1S/C11H15BrN2O2/c1-7(2)13-11(16)8(3)14-6-9(12)4-5-10(14)15/h4-8H,1-3H3,(H,13,16)
InChIKeyQQONRSAGVIASMU-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.70
Rot. Bonds3

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide (PubChem CID 166086144) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
PubChem CID166086144
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1cc(Br)ccc1=O
InChIInChI=1S/C11H15BrN2O2/c1-7(2)13-11(16)8(3)14-6-9(12)4-5-10(14)15/h4-8H,1-3H3,(H,13,16)
InChIKeyQQONRSAGVIASMU-UHFFFAOYSA-N
XLogP1.70
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide (CID 166086144) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)n1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
The InChIKey is QQONRSAGVIASMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(2)13-11(16)8(3)14-6-9(12)4-5-10(14)15/h4-8H,1-3H3,(H,13,16).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide has a molecular weight of 287.16 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 166086144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).