1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one

C19H17FN2O2 — CID 56848016

IUPAC1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one
SMILESCOc1ccc(NCc2ccc(=O)n(-c3cccc(F)c3)c2)cc1
InChIInChI=1S/C19H17FN2O2/c1-24-18-8-6-16(7-9-18)21-12-14-5-10-19(23)22(13-14)17-4-2-3-15(20)11-17/h2-11,13,21H,12H2,1H3
InChIKeySVQROSLNHFMUNA-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one

1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one (PubChem CID 56848016) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one
PubChem CID56848016
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one
SMILESCOc1ccc(NCc2ccc(=O)n(-c3cccc(F)c3)c2)cc1
InChIInChI=1S/C19H17FN2O2/c1-24-18-8-6-16(7-9-18)21-12-14-5-10-19(23)22(13-14)17-4-2-3-15(20)11-17/h2-11,13,21H,12H2,1H3
InChIKeySVQROSLNHFMUNA-UHFFFAOYSA-N
XLogP3.60
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(3-fluorophenyl)-5-[(4-methoxyanilino)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 1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one (CID 56848016) is 1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one is COc1ccc(NCc2ccc(=O)n(-c3cccc(F)c3)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one?
The InChIKey is SVQROSLNHFMUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-24-18-8-6-16(7-9-18)21-12-14-5-10-19(23)22(13-14)17-4-2-3-15(20)11-17/h2-11,13,21H,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one?
1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one has a molecular weight of 324.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one is sourced from PubChem (CID 56848016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).