2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide

C12H15BrN2O3 — CID 63295274

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCC(O)C1CC1
InChIInChI=1S/C12H15BrN2O3/c13-9-3-4-12(18)15(6-9)7-11(17)14-5-10(16)8-1-2-8/h3-4,6,8,10,16H,1-2,5,7H2,(H,14,17)
InChIKeyDMNSYAKANNAJEL-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.50
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide (PubChem CID 63295274) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide
PubChem CID63295274
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCC(O)C1CC1
InChIInChI=1S/C12H15BrN2O3/c13-9-3-4-12(18)15(6-9)7-11(17)14-5-10(16)8-1-2-8/h3-4,6,8,10,16H,1-2,5,7H2,(H,14,17)
InChIKeyDMNSYAKANNAJEL-UHFFFAOYSA-N
XLogP0.50
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide (CID 63295274) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide is O=C(Cn1cc(Br)ccc1=O)NCC(O)C1CC1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide?
The InChIKey is DMNSYAKANNAJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-9-3-4-12(18)15(6-9)7-11(17)14-5-10(16)8-1-2-8/h3-4,6,8,10,16H,1-2,5,7H2,(H,14,17).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide has a molecular weight of 315.17 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-cyclopropyl-2-hydroxyethyl)acetamide is sourced from PubChem (CID 63295274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).