6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile

C17H15FN4O — CID 56788924

IUPAC6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cn1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H15FN4O/c1-21(16-7-6-12(10-19)11-20-16)15-8-9-22(17(15)23)14-5-3-2-4-13(14)18/h2-7,11,15H,8-9H2,1H3
InChIKeyPZFLJKONSOKFKT-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.33
Rot. Bonds3

About 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile

6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile (PubChem CID 56788924) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile
PubChem CID56788924
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cn1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H15FN4O/c1-21(16-7-6-12(10-19)11-20-16)15-8-9-22(17(15)23)14-5-3-2-4-13(14)18/h2-7,11,15H,8-9H2,1H3
InChIKeyPZFLJKONSOKFKT-UHFFFAOYSA-N
XLogP2.33
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-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-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile (CID 56788924) is 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile is CN(c1ccc(C#N)cn1)C1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile?
The InChIKey is PZFLJKONSOKFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-21(16-7-6-12(10-19)11-20-16)15-8-9-22(17(15)23)14-5-3-2-4-13(14)18/h2-7,11,15H,8-9H2,1H3.
What are the key properties of 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile?
6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile has a molecular weight of 310.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 56788924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).