6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile

C24H20FN5O — CID 66806409

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCCn2ccnc2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H20FN5O/c25-19-4-8-23(9-5-19)31-22-6-2-18(3-7-22)24-15-20(14-21(16-26)29-24)28-10-1-12-30-13-11-27-17-30/h2-9,11,13-15,17H,1,10,12H2,(H,28,29)
InChIKeyUGARCTBBNMTZRH-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.25
Rot. Bonds8

About 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile

6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile (PubChem CID 66806409) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
PubChem CID66806409
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCCn2ccnc2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H20FN5O/c25-19-4-8-23(9-5-19)31-22-6-2-18(3-7-22)24-15-20(14-21(16-26)29-24)28-10-1-12-30-13-11-27-17-30/h2-9,11,13-15,17H,1,10,12H2,(H,28,29)
InChIKeyUGARCTBBNMTZRH-UHFFFAOYSA-N
XLogP5.25
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 155788096
CID 155788096
CID 24180585
CID 24180585
CID 5329419
CID 5329419
CID 5329420
CID 5329420
CID 9910722
CID 9910722
CID 15872388
CID 15872388
CID 15872406
CID 15872406
CID 18536613
CID 18536613
CID 18536627
CID 18536627
CID 18536630
CID 18536630
CID 44539087
CID 44539087
CID 11954403
CID 11954403

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile (CID 66806409) is 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile is N#Cc1cc(NCCCn2ccnc2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile?
The InChIKey is UGARCTBBNMTZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c25-19-4-8-23(9-5-19)31-22-6-2-18(3-7-22)24-15-20(14-21(16-26)29-24)28-10-1-12-30-13-11-27-17-30/h2-9,11,13-15,17H,1,10,12H2,(H,28,29).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile?
6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile has a molecular weight of 413.46 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 66806409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).