2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide

C19H17N2O2+ — CID 2701298

IUPAC2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide
SMILESCC(=O)c1ccc[n+](CC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C19H16N2O2/c1-14(22)16-8-5-11-21(12-16)13-19(23)20-18-10-4-7-15-6-2-3-9-17(15)18/h2-12H,13H2,1H3/p+1
InChIKeyIHDGPQLEYMAARD-UHFFFAOYSA-O
MW305.36 g/mol
LogP2.97
Rot. Bonds4

About 2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide

2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide (PubChem CID 2701298) has the molecular formula C19H17N2O2+ and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide
PubChem CID2701298
Molecular FormulaC19H17N2O2+
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide
SMILESCC(=O)c1ccc[n+](CC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C19H16N2O2/c1-14(22)16-8-5-11-21(12-16)13-19(23)20-18-10-4-7-15-6-2-3-9-17(15)18/h2-12H,13H2,1H3/p+1
InChIKeyIHDGPQLEYMAARD-UHFFFAOYSA-O
XLogP2.97
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.97
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-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8831431
2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 8831367
N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
CID 8831132
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-(3-acetylpyridin-1-ium-1-yl)acetamide bromide
CID 23007435
N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9422642
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
4-(4-acetylphenyl)-N-naphthalen-1-ylbenzamide
CID 170421600
1-(3-acetylpyridin-1-ium-1-yl)-3,3-dimethylbutan-2-one bromide
CID 56951921
3-methylsulfonyl-N-naphthalen-1-ylpropanamide
CID 127504646
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide
CID 4609647

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide (CID 2701298) is 2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide is CC(=O)c1ccc[n+](CC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide?
The InChIKey is IHDGPQLEYMAARD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16N2O2/c1-14(22)16-8-5-11-21(12-16)13-19(23)20-18-10-4-7-15-6-2-3-9-17(15)18/h2-12H,13H2,1H3/p+1.
What are the key properties of 2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide?
2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide has a molecular weight of 305.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 2701298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).