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

C20H16F2N2O3 — CID 122539658

IUPAC5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCOc2cccc(F)c2)cn1
InChIInChI=1S/C20H16F2N2O3/c21-14-6-4-13(5-7-14)17-11-18(20(23)25)24-12-19(17)27-9-8-26-16-3-1-2-15(22)10-16/h1-7,10-12H,8-9H2,(H2,23,25)
InChIKeyURFSUHXQFFIKFG-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.58
Rot. Bonds7

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

5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 122539658) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID122539658
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCOc2cccc(F)c2)cn1
InChIInChI=1S/C20H16F2N2O3/c21-14-6-4-13(5-7-14)17-11-18(20(23)25)24-12-19(17)27-9-8-26-16-3-1-2-15(22)10-16/h1-7,10-12H,8-9H2,(H2,23,25)
InChIKeyURFSUHXQFFIKFG-UHFFFAOYSA-N
XLogP3.58
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.58
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 5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (CID 122539658) is 5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OCCOc2cccc(F)c2)cn1.
What is the InChIKey of 5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is URFSUHXQFFIKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c21-14-6-4-13(5-7-14)17-11-18(20(23)25)24-12-19(17)27-9-8-26-16-3-1-2-15(22)10-16/h1-7,10-12H,8-9H2,(H2,23,25).
What are the key properties of 5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122539658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).