5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

C21H16FN3O3 — CID 122539713

IUPAC5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(OCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C21H16FN3O3/c22-16-6-4-15(5-7-16)18-11-19(21(24)26)25-13-20(18)28-9-8-27-17-3-1-2-14(10-17)12-23/h1-7,10-11,13H,8-9H2,(H2,24,26)
InChIKeyLSRQKDJLCYKXAZ-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.32
Rot. Bonds7

About 5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 122539713) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID122539713
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(OCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C21H16FN3O3/c22-16-6-4-15(5-7-16)18-11-19(21(24)26)25-13-20(18)28-9-8-27-17-3-1-2-14(10-17)12-23/h1-7,10-11,13H,8-9H2,(H2,24,26)
InChIKeyLSRQKDJLCYKXAZ-UHFFFAOYSA-N
XLogP3.32
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide
CID 134327152
3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile
CID 43289328
3-[4-(4-fluorophenyl)-4-oxobutoxy]benzonitrile
CID 60643686
2-[2-(3-cyanophenoxy)ethoxy]benzoic acid
CID 43532247
2-[2-(3-cyanophenoxy)ethoxy]benzonitrile
CID 43289478
3-[2-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethoxy]benzonitrile
CID 60515613
4-(4-fluorophenyl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)pyridine-2-carboxamide
CID 122539744
3-[3-(4-fluorophenyl)-2-oxopropoxy]benzonitrile
CID 62030654
3-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 20987302
3-[3-(4-fluorophenyl)sulfinylpropoxy]benzonitrile
CID 64691482
3-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685151
3-[2-(2-nitrophenoxy)ethoxy]benzonitrile
CID 51891677

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (CID 122539713) is 5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is N#Cc1cccc(OCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1.
What is the InChIKey of 5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is LSRQKDJLCYKXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c22-16-6-4-15(5-7-16)18-11-19(21(24)26)25-13-20(18)28-9-8-27-17-3-1-2-14(10-17)12-23/h1-7,10-11,13H,8-9H2,(H2,24,26).
What are the key properties of 5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122539713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).