3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one

C14H13FN2O2 — CID 66365093

IUPAC3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one
SMILESNc1cccn(CC2Cc3cc(F)ccc3O2)c1=O
InChIInChI=1S/C14H13FN2O2/c15-10-3-4-13-9(6-10)7-11(19-13)8-17-5-1-2-12(16)14(17)18/h1-6,11H,7-8,16H2
InChIKeyOSAMUKWNJVIRFP-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.57
Rot. Bonds2

About 3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one

3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one (PubChem CID 66365093) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one
PubChem CID66365093
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one
SMILESNc1cccn(CC2Cc3cc(F)ccc3O2)c1=O
InChIInChI=1S/C14H13FN2O2/c15-10-3-4-13-9(6-10)7-11(19-13)8-17-5-1-2-12(16)14(17)18/h1-6,11H,7-8,16H2
InChIKeyOSAMUKWNJVIRFP-UHFFFAOYSA-N
XLogP1.57
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]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-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one (CID 66365093) is 3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one is Nc1cccn(CC2Cc3cc(F)ccc3O2)c1=O.
What is the InChIKey of 3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one?
The InChIKey is OSAMUKWNJVIRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-10-3-4-13-9(6-10)7-11(19-13)8-17-5-1-2-12(16)14(17)18/h1-6,11H,7-8,16H2.
What are the key properties of 3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one?
3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one has a molecular weight of 260.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 66365093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).