N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide

C14H14N2O3 — CID 47097031

IUPACN-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc[n+]([O-])c1
InChIInChI=1S/C14H14N2O3/c1-2-19-13-8-4-3-7-12(13)15-14(17)11-6-5-9-16(18)10-11/h3-10H,2H2,1H3,(H,15,17)
InChIKeyIOIXGLSXUGZULC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.97
Rot. Bonds4

About N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide

N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide (PubChem CID 47097031) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide
PubChem CID47097031
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc[n+]([O-])c1
InChIInChI=1S/C14H14N2O3/c1-2-19-13-8-4-3-7-12(13)15-14(17)11-6-5-9-16(18)10-11/h3-10H,2H2,1H3,(H,15,17)
InChIKeyIOIXGLSXUGZULC-UHFFFAOYSA-N
XLogP1.97
TPSA65.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
N-(4-bromo-2-ethylphenyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 50739996
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
CID 174193763
CID 174193763
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
3-N-butan-2-yl-1-N-(2-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109051553

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide (CID 47097031) is N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide is CCOc1ccccc1NC(=O)c1ccc[n+]([O-])c1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide?
The InChIKey is IOIXGLSXUGZULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-19-13-8-4-3-7-12(13)15-14(17)11-6-5-9-16(18)10-11/h3-10H,2H2,1H3,(H,15,17).
What are the key properties of N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide?
N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide is sourced from PubChem (CID 47097031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).