3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one

C19H14FN3O — CID 20855058

IUPAC3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(Nc2ccc(F)cc2)N1c1cccnc1
InChIInChI=1S/C19H14FN3O/c20-13-7-9-14(10-8-13)22-18-16-5-1-2-6-17(16)19(24)23(18)15-4-3-11-21-12-15/h1-12,18,22H
InChIKeyHQKSDNYVPSVCPM-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.99
Rot. Bonds3

About 3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one

3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one (PubChem CID 20855058) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one
PubChem CID20855058
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(Nc2ccc(F)cc2)N1c1cccnc1
InChIInChI=1S/C19H14FN3O/c20-13-7-9-14(10-8-13)22-18-16-5-1-2-6-17(16)19(24)23(18)15-4-3-11-21-12-15/h1-12,18,22H
InChIKeyHQKSDNYVPSVCPM-UHFFFAOYSA-N
XLogP3.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134814226
(R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 49865166
N-(pyridin-3-yl)biphenyl-2-carboxamide
CID 679747
5-{[3-(Dimethylamino)benzoyl]amino}-2-methyl-n-pyridin-3-ylbenzamide
CID 44571803
Phthalimide, N-3-pyridyl-
CID 167793
4-fluoro-N-(3-pyridinyl)benzamide
CID 1118253
2-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylamino)-3H-isoindol-1-one
CID 5307944
3-(1-Methyl-2-Oxo-2,3-Dihydro-1h-Imidazo[4,5-B]pyridin-6-Yl)benzamide
CID 56593154
N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea
CID 134814219
N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide
CID 145704651
3-(2-Methyl-1-oxo-1,2-dihydroisoquinolin-4-YL)-1-[(pyridin-2-YL)methyl]urea
CID 20910140
3-[2-(2-Methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]-1-(pyridin-3-YL)urea
CID 20924480

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one?
The IUPAC name of 3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one (CID 20855058) is 3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one is O=C1c2ccccc2C(Nc2ccc(F)cc2)N1c1cccnc1.
What is the InChIKey of 3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one?
The InChIKey is HQKSDNYVPSVCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-13-7-9-14(10-8-13)22-18-16-5-1-2-6-17(16)19(24)23(18)15-4-3-11-21-12-15/h1-12,18,22H.
What are the key properties of 3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one?
3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one has a molecular weight of 319.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-2-pyridin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 20855058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).