6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide

C21H20FN3O2 — CID 68745274

IUPAC6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CNCCc3cccc(F)c3)cc2)nc1
InChIInChI=1S/C21H20FN3O2/c22-18-3-1-2-15(12-18)10-11-24-13-16-4-7-19(8-5-16)27-20-9-6-17(14-25-20)21(23)26/h1-9,12,14,24H,10-11,13H2,(H2,23,26)
InChIKeyGAWYOWAUOWGOAG-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.44
Rot. Bonds8

About 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide

6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68745274) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide
PubChem CID68745274
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CNCCc3cccc(F)c3)cc2)nc1
InChIInChI=1S/C21H20FN3O2/c22-18-3-1-2-15(12-18)10-11-24-13-16-4-7-19(8-5-16)27-20-9-6-17(14-25-20)21(23)26/h1-9,12,14,24H,10-11,13H2,(H2,23,26)
InChIKeyGAWYOWAUOWGOAG-UHFFFAOYSA-N
XLogP3.44
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
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 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide (CID 68745274) is 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CNCCc3cccc(F)c3)cc2)nc1.
What is the InChIKey of 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is GAWYOWAUOWGOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-18-3-1-2-15(12-18)10-11-24-13-16-4-7-19(8-5-16)27-20-9-6-17(14-25-20)21(23)26/h1-9,12,14,24H,10-11,13H2,(H2,23,26).
What are the key properties of 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide?
6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68745274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).