5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one

C12H21N3O — CID 43259618

IUPAC5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one
SMILESCCCCN(C)CCn1cc(N)ccc1=O
InChIInChI=1S/C12H21N3O/c1-3-4-7-14(2)8-9-15-10-11(13)5-6-12(15)16/h5-6,10H,3-4,7-9,13H2,1-2H3
InChIKeyZIXFBEMMCAWGRS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.16
Rot. Bonds6

About 5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one

5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one (PubChem CID 43259618) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one
PubChem CID43259618
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one
SMILESCCCCN(C)CCn1cc(N)ccc1=O
InChIInChI=1S/C12H21N3O/c1-3-4-7-14(2)8-9-15-10-11(13)5-6-12(15)16/h5-6,10H,3-4,7-9,13H2,1-2H3
InChIKeyZIXFBEMMCAWGRS-UHFFFAOYSA-N
XLogP1.16
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one (CID 43259618) is 5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one is CCCCN(C)CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one?
The InChIKey is ZIXFBEMMCAWGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-7-14(2)8-9-15-10-11(13)5-6-12(15)16/h5-6,10H,3-4,7-9,13H2,1-2H3.
What are the key properties of 5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one?
5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[butyl(methyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 43259618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).