6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

C13H10FN3O — CID 2452227

IUPAC6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1c(N)cc(-c2ccc(F)cc2)c(C#N)c1=O
InChIInChI=1S/C13H10FN3O/c1-17-12(16)6-10(11(7-15)13(17)18)8-2-4-9(14)5-3-8/h2-6H,16H2,1H3
InChIKeyABJREBLDBBCTRL-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.65
Rot. Bonds1

About 6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 2452227) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
PubChem CID2452227
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1c(N)cc(-c2ccc(F)cc2)c(C#N)c1=O
InChIInChI=1S/C13H10FN3O/c1-17-12(16)6-10(11(7-15)13(17)18)8-2-4-9(14)5-3-8/h2-6H,16H2,1H3
InChIKeyABJREBLDBBCTRL-UHFFFAOYSA-N
XLogP1.65
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile 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 6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (CID 2452227) is 6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is Cn1c(N)cc(-c2ccc(F)cc2)c(C#N)c1=O.
What is the InChIKey of 6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ABJREBLDBBCTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-17-12(16)6-10(11(7-15)13(17)18)8-2-4-9(14)5-3-8/h2-6H,16H2,1H3.
What are the key properties of 6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 243.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2452227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).