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

C17H17N2O3+ — CID 8831132

IUPACN-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)C[n+]2cccc(C(C)=O)c2)c1
InChIInChI=1S/C17H16N2O3/c1-12(20)14-5-3-7-16(9-14)18-17(22)11-19-8-4-6-15(10-19)13(2)21/h3-10H,11H2,1-2H3/p+1
InChIKeyCRPCKTSSDVRMHC-UHFFFAOYSA-O
MW297.33 g/mol
LogP2.02
Rot. Bonds5

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

N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide (PubChem CID 8831132) has the molecular formula C17H17N2O3+ and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
PubChem CID8831132
Molecular FormulaC17H17N2O3+
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC NameN-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)C[n+]2cccc(C(C)=O)c2)c1
InChIInChI=1S/C17H16N2O3/c1-12(20)14-5-3-7-16(9-14)18-17(22)11-19-8-4-6-15(10-19)13(2)21/h3-10H,11H2,1-2H3/p+1
InChIKeyCRPCKTSSDVRMHC-UHFFFAOYSA-O
XLogP2.02
TPSA67.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.02
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

2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8831164
2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 8830190
2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide
CID 2701298
2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 8831367
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
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
N-(3-acetylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878078
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid bromide
CID 11473169
N-(3-acetylphenyl)propanamide
CID 903063
2-(3-acetylpyridin-1-ium-1-yl)acetamide bromide
CID 23007435
N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide
CID 46906808

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide (CID 8831132) is N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide is CC(=O)c1cccc(NC(=O)C[n+]2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide?
The InChIKey is CRPCKTSSDVRMHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16N2O3/c1-12(20)14-5-3-7-16(9-14)18-17(22)11-19-8-4-6-15(10-19)13(2)21/h3-10H,11H2,1-2H3/p+1.
What are the key properties of N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide?
N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide has a molecular weight of 297.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8831132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).