1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one

C13H12F3N3O2 — CID 63279408

IUPAC1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CCn2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)9-1-3-11(20)18(7-9)5-6-19-8-10(17)2-4-12(19)21/h1-4,7-8H,5-6,17H2
InChIKeyOWBWLIJGASQMCE-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.31
Rot. Bonds3

About 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63279408) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63279408
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CCn2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)9-1-3-11(20)18(7-9)5-6-19-8-10(17)2-4-12(19)21/h1-4,7-8H,5-6,17H2
InChIKeyOWBWLIJGASQMCE-UHFFFAOYSA-N
XLogP1.31
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 63279408) is 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one is Nc1ccc(=O)n(CCn2cc(C(F)(F)F)ccc2=O)c1.
What is the InChIKey of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is OWBWLIJGASQMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)9-1-3-11(20)18(7-9)5-6-19-8-10(17)2-4-12(19)21/h1-4,7-8H,5-6,17H2.
What are the key properties of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 299.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63279408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).