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

C24H22FN5O2 — CID 66799765

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNCCN2CCNC2=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H22FN5O2/c25-19-3-7-22(8-4-19)32-21-5-1-18(2-6-21)23-14-17(13-20(15-26)29-23)16-27-9-11-30-12-10-28-24(30)31/h1-8,13-14,27H,9-12,16H2,(H,28,31)
InChIKeyRNWFAMRKVOEJHI-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.67
Rot. Bonds8

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

6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile (PubChem CID 66799765) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
PubChem CID66799765
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNCCN2CCNC2=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H22FN5O2/c25-19-3-7-22(8-4-19)32-21-5-1-18(2-6-21)23-14-17(13-20(15-26)29-23)16-27-9-11-30-12-10-28-24(30)31/h1-8,13-14,27H,9-12,16H2,(H,28,31)
InChIKeyRNWFAMRKVOEJHI-UHFFFAOYSA-N
XLogP3.67
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile (CID 66799765) is 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile is N#Cc1cc(CNCCN2CCNC2=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is RNWFAMRKVOEJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-19-3-7-22(8-4-19)32-21-5-1-18(2-6-21)23-14-17(13-20(15-26)29-23)16-27-9-11-30-12-10-28-24(30)31/h1-8,13-14,27H,9-12,16H2,(H,28,31).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile?
6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 431.47 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 66799765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).