1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one

C10H12F2N2O — CID 137449445

IUPAC1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(C2CC(F)(F)C2)c1=O
InChIInChI=1S/C10H12F2N2O/c1-13-8-3-2-4-14(9(8)15)7-5-10(11,12)6-7/h2-4,7,13H,5-6H2,1H3
InChIKeySTFKQDRYEDLXNG-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.86
Rot. Bonds2

About 1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one

1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one (PubChem CID 137449445) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one
PubChem CID137449445
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(C2CC(F)(F)C2)c1=O
InChIInChI=1S/C10H12F2N2O/c1-13-8-3-2-4-14(9(8)15)7-5-10(11,12)6-7/h2-4,7,13H,5-6H2,1H3
InChIKeySTFKQDRYEDLXNG-UHFFFAOYSA-N
XLogP1.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one (CID 137449445) is 1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one is CNc1cccn(C2CC(F)(F)C2)c1=O.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one?
The InChIKey is STFKQDRYEDLXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-13-8-3-2-4-14(9(8)15)7-5-10(11,12)6-7/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one?
1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one has a molecular weight of 214.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).