2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide

C17H15N2O2+ — CID 8751051

IUPAC2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide
SMILESO=C(C[n+]1cccc(O)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O2/c20-16-6-3-9-19(11-16)12-17(21)18-15-8-7-13-4-1-2-5-14(13)10-15/h1-11H,12H2,(H-,18,20,21)/p+1
InChIKeyVWXJIVXWDFFDHR-UHFFFAOYSA-O
MW279.32 g/mol
LogP2.47
Rot. Bonds3

About 2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide

2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide (PubChem CID 8751051) has the molecular formula C17H15N2O2+ and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide
PubChem CID8751051
Molecular FormulaC17H15N2O2+
Molecular Weight279.32 g/mol
Exact Mass279.11
IUPAC Name2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide
SMILESO=C(C[n+]1cccc(O)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O2/c20-16-6-3-9-19(11-16)12-17(21)18-15-8-7-13-4-1-2-5-14(13)10-15/h1-11H,12H2,(H-,18,20,21)/p+1
InChIKeyVWXJIVXWDFFDHR-UHFFFAOYSA-O
XLogP2.47
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751307
N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 2329822
2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8751008
N-(3,4-dichlorophenyl)-2-isoquinolin-2-ium-2-ylacetamide
CID 8829211
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751190
2-isoquinolin-2-ium-2-yl-N-(4-methoxyphenyl)acetamide
CID 8829241
[3-(naphthalen-2-ylamino)-3-oxopropyl]azanium
CID 7021427
N-(3-chloro-4-fluorophenyl)-2-isoquinolin-2-ium-2-ylacetamide;hydrobromide
CID 126958312
2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 8751313
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
CID 8831132
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide (CID 8751051) is 2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide is O=C(C[n+]1cccc(O)c1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide?
The InChIKey is VWXJIVXWDFFDHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H14N2O2/c20-16-6-3-9-19(11-16)12-17(21)18-15-8-7-13-4-1-2-5-14(13)10-15/h1-11H,12H2,(H-,18,20,21)/p+1.
What are the key properties of 2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide?
2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide has a molecular weight of 279.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 8751051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).