5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride

C22H23ClFN3O2 — CID 67163111

IUPAC5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cncc(-c2ccc(OCCNCCc3cccc(F)c3)cc2)c1
InChIInChI=1S/C22H22FN3O2.ClH/c23-20-3-1-2-16(12-20)8-9-25-10-11-28-21-6-4-17(5-7-21)18-13-19(22(24)27)15-26-14-18;/h1-7,12-15,25H,8-11H2,(H2,24,27);1H
InChIKeyQEWDMRICOHCMEL-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.62
Rot. Bonds9

About 5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride

5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 67163111) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is 5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride
PubChem CID67163111
Molecular FormulaC22H23ClFN3O2
Molecular Weight415.90 g/mol
Exact Mass415.15
IUPAC Name5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cncc(-c2ccc(OCCNCCc3cccc(F)c3)cc2)c1
InChIInChI=1S/C22H22FN3O2.ClH/c23-20-3-1-2-16(12-20)8-9-25-10-11-28-21-6-4-17(5-7-21)18-13-19(22(24)27)15-26-14-18;/h1-7,12-15,25H,8-11H2,(H2,24,27);1H
InChIKeyQEWDMRICOHCMEL-UHFFFAOYSA-N
XLogP3.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.62
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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Related Compounds

5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide
CID 58276289
3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
CID 58276651
4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide
CID 58276440
4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide
CID 58276753
5-(3-fluorophenyl)pyridine-3-carboxamide
CID 71303502
2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 60697587
3-[4-[2-[(3,5-difluorophenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629555
5-(4-fluorophenyl)pyridine-3-carboxamide
CID 71303524
3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629604
N-[(3-fluorophenyl)methyl]-5-(4-hydroxyphenyl)pyridine-3-carboxamide;methane
CID 159549428
3-chloro-4-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 68749884
3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 162324107

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride (CID 67163111) is 5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride is Cl.NC(=O)c1cncc(-c2ccc(OCCNCCc3cccc(F)c3)cc2)c1.
What is the InChIKey of 5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is QEWDMRICOHCMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2.ClH/c23-20-3-1-2-16(12-20)8-9-25-10-11-28-21-6-4-17(5-7-21)18-13-19(22(24)27)15-26-14-18;/h1-7,12-15,25H,8-11H2,(H2,24,27);1H.
What are the key properties of 5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride?
5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 415.90 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67163111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).