3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one

C12H19N3O2 — CID 138585644

IUPAC3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESCOC1CCN(CCn2cccc(N)c2=O)C1
InChIInChI=1S/C12H19N3O2/c1-17-10-4-6-14(9-10)7-8-15-5-2-3-11(13)12(15)16/h2-3,5,10H,4,6-9,13H2,1H3
InChIKeyDHDNTSLYKNWLPG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.15
Rot. Bonds4

About 3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one

3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one (PubChem CID 138585644) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one
PubChem CID138585644
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESCOC1CCN(CCn2cccc(N)c2=O)C1
InChIInChI=1S/C12H19N3O2/c1-17-10-4-6-14(9-10)7-8-15-5-2-3-11(13)12(15)16/h2-3,5,10H,4,6-9,13H2,1H3
InChIKeyDHDNTSLYKNWLPG-UHFFFAOYSA-N
XLogP0.15
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one (CID 138585644) is 3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one is COC1CCN(CCn2cccc(N)c2=O)C1.
What is the InChIKey of 3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is DHDNTSLYKNWLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-10-4-6-14(9-10)7-8-15-5-2-3-11(13)12(15)16/h2-3,5,10H,4,6-9,13H2,1H3.
What are the key properties of 3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one?
3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 138585644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).