2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide

C19H16N2O3 — CID 166340253

IUPAC2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1ccc[n+]([O-])c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O3/c22-18(20-17-12-7-13-21(24)14-17)19(23,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,23H,(H,20,22)
InChIKeyIQQDZNUKXLLJDI-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.19
Rot. Bonds4

About 2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide

2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide (PubChem CID 166340253) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide
PubChem CID166340253
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1ccc[n+]([O-])c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O3/c22-18(20-17-12-7-13-21(24)14-17)19(23,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,23H,(H,20,22)
InChIKeyIQQDZNUKXLLJDI-UHFFFAOYSA-N
XLogP2.19
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
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

2,2-bis(4-aminophenyl)-2-hydroxy-N-phenylacetamide
CID 139899649
N-(4-fluorophenyl)-2-hydroxy-2,2-diphenylacetamide
CID 693053
N-(4-acetylphenyl)-2-hydroxy-2,2-diphenylacetamide
CID 12522226
2-hydroxy-N-(1-methyl-6-oxo-3-pyridinyl)-2,2-diphenylacetamide
CID 110901708
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
N-[3-(2,2-diphenylpropanoylamino)phenyl]benzamide
CID 2263945
2-methyl-2-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 13309478
2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide
CID 71027221
2-hydroxy-N-(2-methylpropylideneamino)-2,2-diphenylacetamide
CID 4547261
2-anilino-N,2,2-triphenylacetamide
CID 2168373
2-hydroxy-N',N'-dimethyl-2,2-diphenylacetohydrazide
CID 12885881
2-methyl-N-phenyl-2-propan-2-yloxypropanamide
CID 177401592

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide (CID 166340253) is 2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide is O=C(Nc1ccc[n+]([O-])c1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide?
The InChIKey is IQQDZNUKXLLJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18(20-17-12-7-13-21(24)14-17)19(23,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,23H,(H,20,22).
What are the key properties of 2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide?
2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide has a molecular weight of 320.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-oxidopyridin-1-ium-3-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 166340253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).