5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one

C13H21N3O2 — CID 43544164

IUPAC5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one
SMILESCC1CN(CCn2cc(N)ccc2=O)C(C)CO1
InChIInChI=1S/C13H21N3O2/c1-10-9-18-11(2)7-15(10)5-6-16-8-12(14)3-4-13(16)17/h3-4,8,10-11H,5-7,9,14H2,1-2H3
InChIKeyYFEKWCPOXLBDTH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.54
Rot. Bonds3

About 5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one

5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one (PubChem CID 43544164) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one
PubChem CID43544164
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one
SMILESCC1CN(CCn2cc(N)ccc2=O)C(C)CO1
InChIInChI=1S/C13H21N3O2/c1-10-9-18-11(2)7-15(10)5-6-16-8-12(14)3-4-13(16)17/h3-4,8,10-11H,5-7,9,14H2,1-2H3
InChIKeyYFEKWCPOXLBDTH-UHFFFAOYSA-N
XLogP0.54
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one (CID 43544164) is 5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one is CC1CN(CCn2cc(N)ccc2=O)C(C)CO1.
What is the InChIKey of 5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one?
The InChIKey is YFEKWCPOXLBDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-9-18-11(2)7-15(10)5-6-16-8-12(14)3-4-13(16)17/h3-4,8,10-11H,5-7,9,14H2,1-2H3.
What are the key properties of 5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 43544164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).