4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile

C21H18FN3O2 — CID 122539660

IUPAC4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile
SMILESCc1ccc(OC(C)COc2cnc(C#N)cc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H18FN3O2/c1-14-3-8-19(11-24-14)27-15(2)13-26-21-12-25-18(10-23)9-20(21)16-4-6-17(22)7-5-16/h3-9,11-12,15H,13H2,1-2H3
InChIKeyQGDCXMMTPHUACC-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.31
Rot. Bonds6

About 4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile

4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile (PubChem CID 122539660) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile
PubChem CID122539660
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile
SMILESCc1ccc(OC(C)COc2cnc(C#N)cc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H18FN3O2/c1-14-3-8-19(11-24-14)27-15(2)13-26-21-12-25-18(10-23)9-20(21)16-4-6-17(22)7-5-16/h3-9,11-12,15H,13H2,1-2H3
InChIKeyQGDCXMMTPHUACC-UHFFFAOYSA-N
XLogP4.31
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
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3-(4-Fluoro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
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Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile (CID 122539660) is 4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile is Cc1ccc(OC(C)COc2cnc(C#N)cc2-c2ccc(F)cc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile?
The InChIKey is QGDCXMMTPHUACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-14-3-8-19(11-24-14)27-15(2)13-26-21-12-25-18(10-23)9-20(21)16-4-6-17(22)7-5-16/h3-9,11-12,15H,13H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile?
4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile has a molecular weight of 363.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[2-[(6-methyl-3-pyridinyl)oxy]propoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 122539660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).