3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one

C16H17FN2O2 — CID 82466934

IUPAC3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESNc1ccc(-c2ccc(F)cc2)n(CC2CCCO2)c1=O
InChIInChI=1S/C16H17FN2O2/c17-12-5-3-11(4-6-12)15-8-7-14(18)16(20)19(15)10-13-2-1-9-21-13/h3-8,13H,1-2,9-10,18H2
InChIKeySOPLJUHSITVHJN-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.42
Rot. Bonds3

About 3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one

3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one (PubChem CID 82466934) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
PubChem CID82466934
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESNc1ccc(-c2ccc(F)cc2)n(CC2CCCO2)c1=O
InChIInChI=1S/C16H17FN2O2/c17-12-5-3-11(4-6-12)15-8-7-14(18)16(20)19(15)10-13-2-1-9-21-13/h3-8,13H,1-2,9-10,18H2
InChIKeySOPLJUHSITVHJN-UHFFFAOYSA-N
XLogP2.42
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)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 3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one (CID 82466934) is 3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one is Nc1ccc(-c2ccc(F)cc2)n(CC2CCCO2)c1=O.
What is the InChIKey of 3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one?
The InChIKey is SOPLJUHSITVHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-12-5-3-11(4-6-12)15-8-7-14(18)16(20)19(15)10-13-2-1-9-21-13/h3-8,13H,1-2,9-10,18H2.
What are the key properties of 3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one?
3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one has a molecular weight of 288.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 82466934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).