2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide

C14H20BrN3O3 — CID 47035958

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
SMILESCC(CN1CCOCC1)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H20BrN3O3/c1-11(8-17-4-6-21-7-5-17)16-13(19)10-18-9-12(15)2-3-14(18)20/h2-3,9,11H,4-8,10H2,1H3,(H,16,19)
InChIKeyIKZTXBCVRLFASK-UHFFFAOYSA-N
MW358.24 g/mol
LogP0.45
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide (PubChem CID 47035958) has the molecular formula C14H20BrN3O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
PubChem CID47035958
Molecular FormulaC14H20BrN3O3
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
SMILESCC(CN1CCOCC1)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C14H20BrN3O3/c1-11(8-17-4-6-21-7-5-17)16-13(19)10-18-9-12(15)2-3-14(18)20/h2-3,9,11H,4-8,10H2,1H3,(H,16,19)
InChIKeyIKZTXBCVRLFASK-UHFFFAOYSA-N
XLogP0.45
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 50.45
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-morpholin-4-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide (CID 47035958) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide is CC(CN1CCOCC1)NC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
The InChIKey is IKZTXBCVRLFASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3/c1-11(8-17-4-6-21-7-5-17)16-13(19)10-18-9-12(15)2-3-14(18)20/h2-3,9,11H,4-8,10H2,1H3,(H,16,19).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide has a molecular weight of 358.24 g/mol, XLogP of 0.45, 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-morpholin-4-ylpropan-2-yl)acetamide is sourced from PubChem (CID 47035958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).