5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C17H20FN3O2 — CID 109227666

IUPAC5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(NCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FN3O2/c1-23-9-8-21-17(22)14-10-16(12-19-11-14)20-7-6-13-2-4-15(18)5-3-13/h2-5,10-12,20H,6-9H2,1H3,(H,21,22)
InChIKeyJZYYGHXUPLQKLW-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.25
Rot. Bonds8

About 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109227666) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109227666
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(NCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FN3O2/c1-23-9-8-21-17(22)14-10-16(12-19-11-14)20-7-6-13-2-4-15(18)5-3-13/h2-5,10-12,20H,6-9H2,1H3,(H,21,22)
InChIKeyJZYYGHXUPLQKLW-UHFFFAOYSA-N
XLogP2.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.25
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

N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109227677
5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109223200
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649
N-[2-(2-fluorophenyl)ethyl]-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236233
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
methyl 2-[[5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109236565
5-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227676
5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236471

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109227666) is 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1cncc(NCCc2ccc(F)cc2)c1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is JZYYGHXUPLQKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-23-9-8-21-17(22)14-10-16(12-19-11-14)20-7-6-13-2-4-15(18)5-3-13/h2-5,10-12,20H,6-9H2,1H3,(H,21,22).
What are the key properties of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109227666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).