N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride

C16H17ClN2O2 — CID 24747055

IUPACN-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride
SMILESCC(=O)c1ccc(NC(=O)C[n+]2cccc(C)c2)cc1.[Cl-]
InChIInChI=1S/C16H16N2O2.ClH/c1-12-4-3-9-18(10-12)11-16(20)17-15-7-5-14(6-8-15)13(2)19;/h3-10H,11H2,1-2H3;1H
InChIKeyDRICMEAQBRYYCU-UHFFFAOYSA-N
MW304.78 g/mol
LogP-0.87
Rot. Bonds4

About N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride

N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride (PubChem CID 24747055) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride
PubChem CID24747055
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride
SMILESCC(=O)c1ccc(NC(=O)C[n+]2cccc(C)c2)cc1.[Cl-]
InChIInChI=1S/C16H16N2O2.ClH/c1-12-4-3-9-18(10-12)11-16(20)17-15-7-5-14(6-8-15)13(2)19;/h3-10H,11H2,1-2H3;1H
InChIKeyDRICMEAQBRYYCU-UHFFFAOYSA-N
XLogP-0.87
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 5-0.87
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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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
The IUPAC name of N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride (CID 24747055) is N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride is CC(=O)c1ccc(NC(=O)C[n+]2cccc(C)c2)cc1.[Cl-].
What is the InChIKey of N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
The InChIKey is DRICMEAQBRYYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2.ClH/c1-12-4-3-9-18(10-12)11-16(20)17-15-7-5-14(6-8-15)13(2)19;/h3-10H,11H2,1-2H3;1H.
What are the key properties of N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride?
N-(4-acetylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide chloride has a molecular weight of 304.78 g/mol, XLogP of -0.87, 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-(3-methylpyridin-1-ium-1-yl)acetamide chloride is sourced from PubChem (CID 24747055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).