N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide

C16H17N2O2+ — CID 8827705

IUPACN-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)C[n+]2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2O2/c1-12-7-9-18(10-8-12)11-16(20)17-15-5-3-14(4-6-15)13(2)19/h3-10H,11H2,1-2H3/p+1
InChIKeyUEJVOZIFEPAYNY-UHFFFAOYSA-O
MW269.32 g/mol
LogP2.12
Rot. Bonds4

About N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide

N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8827705) has the molecular formula C16H17N2O2+ and a molecular weight of 269.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8827705
Molecular FormulaC16H17N2O2+
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC NameN-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)C[n+]2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2O2/c1-12-7-9-18(10-8-12)11-16(20)17-15-5-3-14(4-6-15)13(2)19/h3-10H,11H2,1-2H3/p+1
InChIKeyUEJVOZIFEPAYNY-UHFFFAOYSA-O
XLogP2.12
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpyridin-1-ium-1-yl)-N-[4-[4-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]phenyl]phenyl]acetamide dibromide
CID 156583193
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
CID 8857721
N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827490
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-(4-acetylphenyl)-2-(4-ethylanilino)acetamide
CID 37465418
1-(4-acetylpyridin-1-ium-1-yl)propan-2-one
CID 58160644
2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
CID 113168572
N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876537
N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827070
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
N-(3-acetylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878078
N-(4-acetylphenyl)-3,3,3-trifluoropropanamide
CID 24695395

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (CID 8827705) is N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is CC(=O)c1ccc(NC(=O)C[n+]2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is UEJVOZIFEPAYNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16N2O2/c1-12-7-9-18(10-8-12)11-16(20)17-15-5-3-14(4-6-15)13(2)19/h3-10H,11H2,1-2H3/p+1.
What are the key properties of N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 269.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8827705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).