6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile

C17H15FN4O — CID 56906023

IUPAC6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2CC(=O)N(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C17H15FN4O/c18-13-4-1-3-12(7-13)10-22-11-15(8-17(22)23)21-16-6-2-5-14(9-19)20-16/h1-7,15H,8,10-11H2,(H,20,21)
InChIKeyVGFXFOYSQDTRBM-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.31
Rot. Bonds4

About 6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile

6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 56906023) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
PubChem CID56906023
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2CC(=O)N(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C17H15FN4O/c18-13-4-1-3-12(7-13)10-22-11-15(8-17(22)23)21-16-6-2-5-14(9-19)20-16/h1-7,15H,8,10-11H2,(H,20,21)
InChIKeyVGFXFOYSQDTRBM-UHFFFAOYSA-N
XLogP2.31
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile (CID 56906023) is 6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile is N#Cc1cccc(NC2CC(=O)N(Cc3cccc(F)c3)C2)n1.
What is the InChIKey of 6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is VGFXFOYSQDTRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-13-4-1-3-12(7-13)10-22-11-15(8-17(22)23)21-16-6-2-5-14(9-19)20-16/h1-7,15H,8,10-11H2,(H,20,21).
What are the key properties of 6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 310.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 56906023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).