N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride

C15H17ClN2O2 — CID 11979290

IUPACN-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride
SMILESCCOc1ccc(NC(=O)C[n+]2ccccc2)cc1.[Cl-]
InChIInChI=1S/C15H16N2O2.ClH/c1-2-19-14-8-6-13(7-9-14)16-15(18)12-17-10-4-3-5-11-17;/h3-11H,2,12H2,1H3;1H
InChIKeyBORDXKDWSFCTGB-UHFFFAOYSA-N
MW292.77 g/mol
LogP-0.98
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride

N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride (PubChem CID 11979290) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride
PubChem CID11979290
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride
SMILESCCOc1ccc(NC(=O)C[n+]2ccccc2)cc1.[Cl-]
InChIInChI=1S/C15H16N2O2.ClH/c1-2-19-14-8-6-13(7-9-14)16-15(18)12-17-10-4-3-5-11-17;/h3-11H,2,12H2,1H3;1H
InChIKeyBORDXKDWSFCTGB-UHFFFAOYSA-N
XLogP-0.98
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 5-0.98
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

6-Phenoxy-3-pyridinamine
CID 212856
N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 862101
nicotinaldehyde O-4-(decyloxy)phenylcarbamoyl oxime
CID 20872720
nicotinaldehyde O-4-(dodecyloxy)phenylcarbamoyl oxime
CID 20872721
nicotinaldehyde O-4-(nonyloxy)phenylcarbamoyl oxime
CID 20872725
nicotinaldehyde O-4-(octyloxy)phenylcarbamoyl oxime
CID 20872726
nicotinaldehyde O-4-(undecyloxy)phenylcarbamoyl oxime
CID 20872732
N-(4-methoxyphenyl)-2-pyridinecarboxamide
CID 821516
1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
N-(4-Ethoxyphenyl)picolinamide
CID 904031
4-(4-Aminophenoxy)-N-methylpicolinamide
CID 16655129
N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3237037

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride?
The IUPAC name of N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride (CID 11979290) is N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride?
The canonical SMILES for N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride is CCOc1ccc(NC(=O)C[n+]2ccccc2)cc1.[Cl-].
What is the InChIKey of N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride?
The InChIKey is BORDXKDWSFCTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/c1-2-19-14-8-6-13(7-9-14)16-15(18)12-17-10-4-3-5-11-17;/h3-11H,2,12H2,1H3;1H.
What are the key properties of N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride?
N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride has a molecular weight of 292.77 g/mol, XLogP of -0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride is sourced from PubChem (CID 11979290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).