3,5-dihydroxy-N-pyrazin-2-ylbenzamide

C11H9N3O3 — CID 107703696

IUPAC3,5-dihydroxy-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1cc(O)cc(O)c1
InChIInChI=1S/C11H9N3O3/c15-8-3-7(4-9(16)5-8)11(17)14-10-6-12-1-2-13-10/h1-6,15-16H,(H,13,14,17)
InChIKeyLBWMEWUJSOQNOM-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.14
Rot. Bonds2

About 3,5-dihydroxy-N-pyrazin-2-ylbenzamide

3,5-dihydroxy-N-pyrazin-2-ylbenzamide (PubChem CID 107703696) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 3,5-dihydroxy-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-pyrazin-2-ylbenzamide
PubChem CID107703696
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name3,5-dihydroxy-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1cc(O)cc(O)c1
InChIInChI=1S/C11H9N3O3/c15-8-3-7(4-9(16)5-8)11(17)14-10-6-12-1-2-13-10/h1-6,15-16H,(H,13,14,17)
InChIKeyLBWMEWUJSOQNOM-UHFFFAOYSA-N
XLogP1.14
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-pyrazin-2-ylbenzamide
CID 43422735
3-hydroxy-4-methyl-N-pyrazin-2-ylbenzamide
CID 43616193
3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
CID 104851956
4-amino-N-pyrazin-2-ylbenzamide
CID 43616023
2-chloro-5-hydroxy-N-pyrazin-2-ylbenzamide
CID 106501440
6-fluoro-N-pyrazin-2-ylpyridine-3-carboxamide
CID 63971040
2-chloro-6-(ethylamino)-N-pyrazin-2-ylpyridine-4-carboxamide
CID 55047218
1-methyl-2-oxo-N-pyrazin-2-ylpyridine-4-carboxamide
CID 113221321
N-pyrazin-2-yl-1H-indazole-6-carboxamide
CID 62907016
3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide
CID 170977014
3-chloro-4-nitro-N-pyrazin-2-ylbenzamide
CID 82781781
4-propoxy-N-pyrazin-2-ylbenzamide
CID 71727773

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3,5-dihydroxy-N-pyrazin-2-ylbenzamide (CID 107703696) is 3,5-dihydroxy-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3,5-dihydroxy-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3,5-dihydroxy-N-pyrazin-2-ylbenzamide is O=C(Nc1cnccn1)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-pyrazin-2-ylbenzamide?
The InChIKey is LBWMEWUJSOQNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-8-3-7(4-9(16)5-8)11(17)14-10-6-12-1-2-13-10/h1-6,15-16H,(H,13,14,17).
What are the key properties of 3,5-dihydroxy-N-pyrazin-2-ylbenzamide?
3,5-dihydroxy-N-pyrazin-2-ylbenzamide has a molecular weight of 231.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 107703696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).