6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile

C18H17FN4O — CID 56891782

IUPAC6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2CC(=O)N(CCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H17FN4O/c19-14-6-4-13(5-7-14)8-9-23-12-16(10-18(23)24)22-17-3-1-2-15(11-20)21-17/h1-7,16H,8-10,12H2,(H,21,22)
InChIKeyUXOOTYLKWMIUDU-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.35
Rot. Bonds5

About 6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile

6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 56891782) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
PubChem CID56891782
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2CC(=O)N(CCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H17FN4O/c19-14-6-4-13(5-7-14)8-9-23-12-16(10-18(23)24)22-17-3-1-2-15(11-20)21-17/h1-7,16H,8-10,12H2,(H,21,22)
InChIKeyUXOOTYLKWMIUDU-UHFFFAOYSA-N
XLogP2.35
TPSA69.02 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile (CID 56891782) is 6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile is N#Cc1cccc(NC2CC(=O)N(CCc3ccc(F)cc3)C2)n1.
What is the InChIKey of 6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is UXOOTYLKWMIUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-14-6-4-13(5-7-14)8-9-23-12-16(10-18(23)24)22-17-3-1-2-15(11-20)21-17/h1-7,16H,8-10,12H2,(H,21,22).
What are the key properties of 6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 324.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 56891782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).