2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C14H14N2O3 — CID 103892127

IUPAC2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cc(O)ccc2O)n1
InChIInChI=1S/C14H14N2O3/c1-9-3-2-4-10(16-9)8-15-14(19)12-7-11(17)5-6-13(12)18/h2-7,17-18H,8H2,1H3,(H,15,19)
InChIKeyCEABBAMKLKFFAY-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.73
Rot. Bonds3

About 2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide

2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 103892127) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID103892127
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cc(O)ccc2O)n1
InChIInChI=1S/C14H14N2O3/c1-9-3-2-4-10(16-9)8-15-14(19)12-7-11(17)5-6-13(12)18/h2-7,17-18H,8H2,1H3,(H,15,19)
InChIKeyCEABBAMKLKFFAY-UHFFFAOYSA-N
XLogP1.73
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104627777
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62321573
3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62662132
2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107723065
2,5-dihydroxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103892445
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
3-fluoro-2-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62661142
2,5-dihydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111164
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853869

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 103892127) is 2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide is Cc1cccc(CNC(=O)c2cc(O)ccc2O)n1.
What is the InChIKey of 2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is CEABBAMKLKFFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-3-2-4-10(16-9)8-15-14(19)12-7-11(17)5-6-13(12)18/h2-7,17-18H,8H2,1H3,(H,15,19).
What are the key properties of 2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 258.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 103892127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).