2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

C17H20FN2O+ — CID 8860911

IUPAC2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCc1ccc(C)[n+](CC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-3-14-5-4-13(2)20(11-14)12-17(21)19-10-15-6-8-16(18)9-7-15/h4-9,11H,3,10,12H2,1-2H3/p+1
InChIKeyHLMLCNKGJKHKJU-UHFFFAOYSA-O
MW287.36 g/mol
LogP2.30
Rot. Bonds5

About 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 8860911) has the molecular formula C17H20FN2O+ and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID8860911
Molecular FormulaC17H20FN2O+
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCc1ccc(C)[n+](CC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-3-14-5-4-13(2)20(11-14)12-17(21)19-10-15-6-8-16(18)9-7-15/h4-9,11H,3,10,12H2,1-2H3/p+1
InChIKeyHLMLCNKGJKHKJU-UHFFFAOYSA-O
XLogP2.30
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 8860908
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 5045191
N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
CID 8862640
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207572
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
ethyl 4-[(4-fluorophenyl)methylamino]-4-oxobutanoate
CID 60637699
1-O-ethyl 4-O-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (E)-but-2-enedioate
CID 7851497
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837954
N-[(4-fluorophenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112528395
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 8860911) is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is CCc1ccc(C)[n+](CC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is HLMLCNKGJKHKJU-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19FN2O/c1-3-14-5-4-13(2)20(11-14)12-17(21)19-10-15-6-8-16(18)9-7-15/h4-9,11H,3,10,12H2,1-2H3/p+1.
What are the key properties of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 8860911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).