6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile

C25H23FN4O2 — CID 152866537

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CCCCN2CCNC2=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H23FN4O2/c26-20-6-10-23(11-7-20)32-22-8-4-19(5-9-22)24-16-18(15-21(17-27)29-24)3-1-2-13-30-14-12-28-25(30)31/h4-11,15-16H,1-3,12-14H2,(H,28,31)
InChIKeyTYONMYGZBSZMLI-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.90
Rot. Bonds8

About 6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile

6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile (PubChem CID 152866537) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile
PubChem CID152866537
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CCCCN2CCNC2=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H23FN4O2/c26-20-6-10-23(11-7-20)32-22-8-4-19(5-9-22)24-16-18(15-21(17-27)29-24)3-1-2-13-30-14-12-28-25(30)31/h4-11,15-16H,1-3,12-14H2,(H,28,31)
InChIKeyTYONMYGZBSZMLI-UHFFFAOYSA-N
XLogP4.90
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile (CID 152866537) is 6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile is N#Cc1cc(CCCCN2CCNC2=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile?
The InChIKey is TYONMYGZBSZMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c26-20-6-10-23(11-7-20)32-22-8-4-19(5-9-22)24-16-18(15-21(17-27)29-24)3-1-2-13-30-14-12-28-25(30)31/h4-11,15-16H,1-3,12-14H2,(H,28,31).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile?
6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile has a molecular weight of 430.48 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-[4-(2-oxoimidazolidin-1-yl)butyl]pyridine-2-carbonitrile is sourced from PubChem (CID 152866537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).