2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide

C14H14N2O3 — CID 103892047

IUPAC2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(O)ccc2O)cn1
InChIInChI=1S/C14H14N2O3/c1-9-2-3-10(7-15-9)8-16-14(19)12-6-11(17)4-5-13(12)18/h2-7,17-18H,8H2,1H3,(H,16,19)
InChIKeyKUPAZMVAILKZSY-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.73
Rot. Bonds3

About 2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide

2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 103892047) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID103892047
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(O)ccc2O)cn1
InChIInChI=1S/C14H14N2O3/c1-9-2-3-10(7-15-9)8-16-14(19)12-6-11(17)4-5-13(12)18/h2-7,17-18H,8H2,1H3,(H,16,19)
InChIKeyKUPAZMVAILKZSY-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

2,5-dihydroxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103892445
2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103892127
2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 79721449
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381189
2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183970
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 175935774
5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 62997396
2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107723065
5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107731417
2,5-dihydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111164

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 103892047) is 2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cc(O)ccc2O)cn1.
What is the InChIKey of 2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is KUPAZMVAILKZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-2-3-10(7-15-9)8-16-14(19)12-6-11(17)4-5-13(12)18/h2-7,17-18H,8H2,1H3,(H,16,19).
What are the key properties of 2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
2,5-dihydroxy-N-[(6-methyl-3-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-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 103892047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).