2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide

C21H19N4O2+ — CID 8830190

IUPAC2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide
SMILESCC(=O)c1ccc[n+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C21H18N4O2/c1-16(26)17-6-5-13-25(14-17)15-21(27)22-18-9-11-20(12-10-18)24-23-19-7-3-2-4-8-19/h2-14H,15H2,1H3/p+1
InChIKeyOTEWLBPBLKGZOR-UHFFFAOYSA-O
MW359.41 g/mol
LogP4.23
Rot. Bonds6

About 2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide

2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide (PubChem CID 8830190) has the molecular formula C21H19N4O2+ and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide
PubChem CID8830190
Molecular FormulaC21H19N4O2+
Molecular Weight359.41 g/mol
Exact Mass359.15
IUPAC Name2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide
SMILESCC(=O)c1ccc[n+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C21H18N4O2/c1-16(26)17-6-5-13-25(14-17)15-21(27)22-18-9-11-20(12-10-18)24-23-19-7-3-2-4-8-19/h2-14H,15H2,1H3/p+1
InChIKeyOTEWLBPBLKGZOR-UHFFFAOYSA-O
XLogP4.23
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
2-(3-acetylpyridin-1-ium-1-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 8831329
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid bromide
CID 11473169
N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877264
2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8831164
2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 8831284
1-[2-(4-ethylanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 8854307
4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoate
CID 7064540
2-(3-methylpyridin-1-ium-1-yl)-N-phenylacetamide bromide
CID 21176144
N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876537
2-(3-acetylpyridin-1-ium-1-yl)acetamide bromide
CID 23007435

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide?
The IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide (CID 8830190) is 2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide?
The canonical SMILES for 2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide is CC(=O)c1ccc[n+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1.
What is the InChIKey of 2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide?
The InChIKey is OTEWLBPBLKGZOR-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H18N4O2/c1-16(26)17-6-5-13-25(14-17)15-21(27)22-18-9-11-20(12-10-18)24-23-19-7-3-2-4-8-19/h2-14H,15H2,1H3/p+1.
What are the key properties of 2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide?
2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide is sourced from PubChem (CID 8830190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).