5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

C20H15FN4O3 — CID 122539649

IUPAC5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1cncc(OCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H15FN4O3/c21-15-3-1-14(2-4-15)17-8-18(20(23)26)25-12-19(17)28-6-5-27-16-7-13(9-22)10-24-11-16/h1-4,7-8,10-12H,5-6H2,(H2,23,26)
InChIKeySZCOCBNNAWISRV-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.71
Rot. Bonds7

About 5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 122539649) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is 5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID122539649
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC Name5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1cncc(OCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H15FN4O3/c21-15-3-1-14(2-4-15)17-8-18(20(23)26)25-12-19(17)28-6-5-27-16-7-13(9-22)10-24-11-16/h1-4,7-8,10-12H,5-6H2,(H2,23,26)
InChIKeySZCOCBNNAWISRV-UHFFFAOYSA-N
XLogP2.71
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (CID 122539649) is 5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is N#Cc1cncc(OCCOc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1.
What is the InChIKey of 5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is SZCOCBNNAWISRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c21-15-3-1-14(2-4-15)17-8-18(20(23)26)25-12-19(17)28-6-5-27-16-7-13(9-22)10-24-11-16/h1-4,7-8,10-12H,5-6H2,(H2,23,26).
What are the key properties of 5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-cyano-3-pyridinyl)oxy]ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122539649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).