N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride

C15H17ClN2O2 — CID 24746951

IUPACN-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
SMILESCOc1ccccc1NC(=O)C[n+]1ccccc1C.[Cl-]
InChIInChI=1S/C15H16N2O2.ClH/c1-12-7-5-6-10-17(12)11-15(18)16-13-8-3-4-9-14(13)19-2;/h3-10H,11H2,1-2H3;1H
InChIKeyCGPGSWFPXUHJFW-UHFFFAOYSA-N
MW292.77 g/mol
LogP-1.07
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride

N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride (PubChem CID 24746951) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
PubChem CID24746951
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
SMILESCOc1ccccc1NC(=O)C[n+]1ccccc1C.[Cl-]
InChIInChI=1S/C15H16N2O2.ClH/c1-12-7-5-6-10-17(12)11-15(18)16-13-8-3-4-9-14(13)19-2;/h3-10H,11H2,1-2H3;1H
InChIKeyCGPGSWFPXUHJFW-UHFFFAOYSA-N
XLogP-1.07
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 5-1.07
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-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride?
The IUPAC name of N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride (CID 24746951) is N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride?
The canonical SMILES for N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride is COc1ccccc1NC(=O)C[n+]1ccccc1C.[Cl-].
What is the InChIKey of N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride?
The InChIKey is CGPGSWFPXUHJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/c1-12-7-5-6-10-17(12)11-15(18)16-13-8-3-4-9-14(13)19-2;/h3-10H,11H2,1-2H3;1H.
What are the key properties of N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride?
N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride has a molecular weight of 292.77 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride is sourced from PubChem (CID 24746951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).