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

C19H16N2O2 — CID 23727577

IUPAC2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide
SMILESO=C(Cc1cccc[n+]1[O-])N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O2/c22-19(15-18-13-7-8-14-20(18)23)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyRCFPRLYKNXGITP-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.23
Rot. Bonds4

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

2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide (PubChem CID 23727577) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide
PubChem CID23727577
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide
SMILESO=C(Cc1cccc[n+]1[O-])N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O2/c22-19(15-18-13-7-8-14-20(18)23)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyRCFPRLYKNXGITP-UHFFFAOYSA-N
XLogP3.23
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chlorophenyl)-N,N-diphenylacetamide
CID 54344934
3-chloro-N,N-diphenylpropanamide
CID 3331408
2-(2-aminophenyl)-N,N-diphenylacetamide
CID 156705003
N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenylacetamide
CID 2342383
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N,N-diphenylacetamide
CID 3165547
2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
CID 70059360
CID 159685847
CID 159685847
3-(1-oxidopyridin-1-ium-2-yl)propan-1-amine
CID 105429765
2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide
CID 174386014
2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide
CID 3265558
2-chloro-N-(4-nitrophenyl)-N-phenylacetamide
CID 10979160
N',N'-diphenyldodecanediamide
CID 70400318

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide?
The IUPAC name of 2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide (CID 23727577) is 2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide.
What is the SMILES notation for 2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide?
The canonical SMILES for 2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide is O=C(Cc1cccc[n+]1[O-])N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide?
The InChIKey is RCFPRLYKNXGITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19(15-18-13-7-8-14-20(18)23)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide?
2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide has a molecular weight of 304.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxidopyridin-1-ium-2-yl)-N,N-diphenylacetamide is sourced from PubChem (CID 23727577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).