2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide

C16H17N2O3+ — CID 8831164

IUPAC2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)C[n+]2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-12(19)13-5-4-8-18(10-13)11-16(20)17-14-6-3-7-15(9-14)21-2/h3-10H,11H2,1-2H3/p+1
InChIKeyYLJPSPCWYGGHMU-UHFFFAOYSA-O
MW285.32 g/mol
LogP1.82
Rot. Bonds5

About 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide

2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 8831164) has the molecular formula C16H17N2O3+ and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID8831164
Molecular FormulaC16H17N2O3+
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)C[n+]2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-12(19)13-5-4-8-18(10-13)11-16(20)17-14-6-3-7-15(9-14)21-2/h3-10H,11H2,1-2H3/p+1
InChIKeyYLJPSPCWYGGHMU-UHFFFAOYSA-O
XLogP1.82
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
CID 8831132
N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877598
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
2-(3-acetylpyridin-1-ium-1-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 8831329
2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 8831284
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8831431
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid bromide
CID 11473169
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide (CID 8831164) is 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)C[n+]2cccc(C(C)=O)c2)c1.
What is the InChIKey of 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is YLJPSPCWYGGHMU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16N2O3/c1-12(19)13-5-4-8-18(10-13)11-16(20)17-14-6-3-7-15(9-14)21-2/h3-10H,11H2,1-2H3/p+1.
What are the key properties of 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide?
2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 285.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 8831164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).