2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide

C13H12N2O3 — CID 113254463

IUPAC2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1c(O)cccc1O
InChIInChI=1S/C13H12N2O3/c16-10-2-1-3-11(17)12(10)13(18)15-8-9-4-6-14-7-5-9/h1-7,16-17H,8H2,(H,15,18)
InChIKeyLSKWJOGGGBKMOE-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.42
Rot. Bonds3

About 2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide

2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 113254463) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID113254463
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1c(O)cccc1O
InChIInChI=1S/C13H12N2O3/c16-10-2-1-3-11(17)12(10)13(18)15-8-9-4-6-14-7-5-9/h1-7,16-17H,8H2,(H,15,18)
InChIKeyLSKWJOGGGBKMOE-UHFFFAOYSA-N
XLogP1.42
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
2-(benzylcarbamoyl)-3,6-dihydroxybenzoic acid
CID 139355426
2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113346793
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid
CID 2826173
methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
CID 47408889
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide (CID 113254463) is 2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is LSKWJOGGGBKMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-10-2-1-3-11(17)12(10)13(18)15-8-9-4-6-14-7-5-9/h1-7,16-17H,8H2,(H,15,18).
What are the key properties of 2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide?
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 244.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 113254463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).