N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

C15H17N2O4+ — CID 8751105

IUPACN-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)C[n+]2cccc(O)c2)c1
InChIInChI=1S/C15H16N2O4/c1-20-12-5-6-14(21-2)13(8-12)16-15(19)10-17-7-3-4-11(18)9-17/h3-9H,10H2,1-2H3,(H-,16,18,19)/p+1
InChIKeyCGRCLVFYBHZJGS-UHFFFAOYSA-O
MW289.31 g/mol
LogP1.34
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (PubChem CID 8751105) has the molecular formula C15H17N2O4+ and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
PubChem CID8751105
Molecular FormulaC15H17N2O4+
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)C[n+]2cccc(O)c2)c1
InChIInChI=1S/C15H16N2O4/c1-20-12-5-6-14(21-2)13(8-12)16-15(19)10-17-7-3-4-11(18)9-17/h3-9H,10H2,1-2H3,(H-,16,18,19)/p+1
InChIKeyCGRCLVFYBHZJGS-UHFFFAOYSA-O
XLogP1.34
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(5-chloro-2-methoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide
CID 3165632
N-(2,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399992
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751353
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 3241935
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
2-(3-hydroxypyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8751323
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (CID 8751105) is N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is COc1ccc(OC)c(NC(=O)C[n+]2cccc(O)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The InChIKey is CGRCLVFYBHZJGS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N2O4/c1-20-12-5-6-14(21-2)13(8-12)16-15(19)10-17-7-3-4-11(18)9-17/h3-9H,10H2,1-2H3,(H-,16,18,19)/p+1.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8751105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).