5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one

C11H18BrN3O — CID 80501621

IUPAC5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one
SMILESCCN(CC)CCn1cc(N)cc(Br)c1=O
InChIInChI=1S/C11H18BrN3O/c1-3-14(4-2)5-6-15-8-9(13)7-10(12)11(15)16/h7-8H,3-6,13H2,1-2H3
InChIKeyNTKMTHPHXWHNPJ-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.53
Rot. Bonds5

About 5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one

5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one (PubChem CID 80501621) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one
PubChem CID80501621
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one
SMILESCCN(CC)CCn1cc(N)cc(Br)c1=O
InChIInChI=1S/C11H18BrN3O/c1-3-14(4-2)5-6-15-8-9(13)7-10(12)11(15)16/h7-8H,3-6,13H2,1-2H3
InChIKeyNTKMTHPHXWHNPJ-UHFFFAOYSA-N
XLogP1.53
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one (CID 80501621) is 5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one is CCN(CC)CCn1cc(N)cc(Br)c1=O.
What is the InChIKey of 5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one?
The InChIKey is NTKMTHPHXWHNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-14(4-2)5-6-15-8-9(13)7-10(12)11(15)16/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one?
5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one has a molecular weight of 288.19 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[2-(diethylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 80501621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).