5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one

C11H16BrN3O2 — CID 80501890

IUPAC5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CCN2CCOCC2)c1
InChIInChI=1S/C11H16BrN3O2/c12-10-7-9(13)8-15(11(10)16)2-1-14-3-5-17-6-4-14/h7-8H,1-6,13H2
InChIKeyDXDMYAYMBJLIDW-UHFFFAOYSA-N
MW302.17 g/mol
LogP0.53
Rot. Bonds3

About 5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one

5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one (PubChem CID 80501890) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one
PubChem CID80501890
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one
SMILESNc1cc(Br)c(=O)n(CCN2CCOCC2)c1
InChIInChI=1S/C11H16BrN3O2/c12-10-7-9(13)8-15(11(10)16)2-1-14-3-5-17-6-4-14/h7-8H,1-6,13H2
InChIKeyDXDMYAYMBJLIDW-UHFFFAOYSA-N
XLogP0.53
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 144126224
3-Amino-5-fluoro-1-(2-morpholin-4-ylethyl)pyridin-2-one
CID 130269256
5-Amino-3-bromo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 80501802
3-Amino-1-(2-morpholinoethyl)pyridin-2(1H)-one
CID 62101139
4-bromo-1-(2-morpholinoethyl)pyridin-2(1H)-one
CID 68734747
5-bromo-1-isopropyl-3-morpholinopyridin-2(1H)-one
CID 90408099
5-bromo-1-ethyl-3-morpholinopyridin-2(1H)-one
CID 90408118
3-Bromo-5-morpholinopyridin-2-ol
CID 90408143
5-bromo-1-(2-hydroxyethyl)-3-morpholinopyridin-2(1H)-one
CID 90408554
2-(5-Bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)acetonitrile
CID 90408596
5-bromo-1-methyl-3-morpholinopyridin-2(1H)-one
CID 90408938
3-bromo-1-methyl-5-morpholinopyridin-2(1H)-one
CID 90409027

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one (CID 80501890) is 5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one is Nc1cc(Br)c(=O)n(CCN2CCOCC2)c1.
What is the InChIKey of 5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one?
The InChIKey is DXDMYAYMBJLIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c12-10-7-9(13)8-15(11(10)16)2-1-14-3-5-17-6-4-14/h7-8H,1-6,13H2.
What are the key properties of 5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one?
5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one has a molecular weight of 302.17 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one is sourced from PubChem (CID 80501890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).