2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride

C14H15ClN2O — CID 24746771

IUPAC2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride
SMILESCc1cccc[n+]1CC(=O)Nc1ccccc1.[Cl-]
InChIInChI=1S/C14H14N2O.ClH/c1-12-7-5-6-10-16(12)11-14(17)15-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H
InChIKeyAVFAWBORBHHAEI-UHFFFAOYSA-N
MW262.74 g/mol
LogP-1.07
Rot. Bonds3

About 2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride

2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride (PubChem CID 24746771) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride.

Molecular Properties

Compound Name2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride
PubChem CID24746771
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride
SMILESCc1cccc[n+]1CC(=O)Nc1ccccc1.[Cl-]
InChIInChI=1S/C14H14N2O.ClH/c1-12-7-5-6-10-16(12)11-14(17)15-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H
InChIKeyAVFAWBORBHHAEI-UHFFFAOYSA-N
XLogP-1.07
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride?
The IUPAC name of 2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride (CID 24746771) is 2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride.
What is the SMILES notation for 2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride?
The canonical SMILES for 2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride is Cc1cccc[n+]1CC(=O)Nc1ccccc1.[Cl-].
What is the InChIKey of 2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride?
The InChIKey is AVFAWBORBHHAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.ClH/c1-12-7-5-6-10-16(12)11-14(17)15-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H.
What are the key properties of 2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride?
2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride has a molecular weight of 262.74 g/mol, XLogP of -1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyridin-1-ium-1-yl)-N-phenylacetamide chloride is sourced from PubChem (CID 24746771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).