2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide

C15H16N2O5 — CID 89109369

IUPAC2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCOOCc1ccc(C(=O)NCc2ccccn2)c(O)c1O
InChIInChI=1S/C15H16N2O5/c1-21-22-9-10-5-6-12(14(19)13(10)18)15(20)17-8-11-4-2-3-7-16-11/h2-7,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyQCHNSSMXHUMUCD-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.50
Rot. Bonds6

About 2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide

2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 89109369) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID89109369
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCOOCc1ccc(C(=O)NCc2ccccn2)c(O)c1O
InChIInChI=1S/C15H16N2O5/c1-21-22-9-10-5-6-12(14(19)13(10)18)15(20)17-8-11-4-2-3-7-16-11/h2-7,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyQCHNSSMXHUMUCD-UHFFFAOYSA-N
XLogP1.50
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2-(phenoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 24512524
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide
CID 102382502
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
1-hydroxy-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 126790220
5-(methoxymethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 78827581
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 134110201
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 89109369) is 2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide is COOCc1ccc(C(=O)NCc2ccccn2)c(O)c1O.
What is the InChIKey of 2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is QCHNSSMXHUMUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-21-22-9-10-5-6-12(14(19)13(10)18)15(20)17-8-11-4-2-3-7-16-11/h2-7,18-19H,8-9H2,1H3,(H,17,20).
What are the key properties of 2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide?
2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 304.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-(methylperoxymethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 89109369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).