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

C13H21N3O — CID 55163084

IUPAC5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESCC1(C)CCCN1CCn1cc(N)ccc1=O
InChIInChI=1S/C13H21N3O/c1-13(2)6-3-7-16(13)9-8-15-10-11(14)4-5-12(15)17/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyKKTRYZRYVDPWOG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.30
Rot. Bonds3

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

5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one (PubChem CID 55163084) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one
PubChem CID55163084
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESCC1(C)CCCN1CCn1cc(N)ccc1=O
InChIInChI=1S/C13H21N3O/c1-13(2)6-3-7-16(13)9-8-15-10-11(14)4-5-12(15)17/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyKKTRYZRYVDPWOG-UHFFFAOYSA-N
XLogP1.30
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.30
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-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one (CID 55163084) is 5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one is CC1(C)CCCN1CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is KKTRYZRYVDPWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2)6-3-7-16(13)9-8-15-10-11(14)4-5-12(15)17/h4-5,10H,3,6-9,14H2,1-2H3.
What are the key properties of 5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 55163084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).