5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide

C12H9N3O4 — CID 134996716

IUPAC5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(C(=O)c2ccc(O)cc2O)cn1
InChIInChI=1S/C12H9N3O4/c13-12(19)9-5-14-8(4-15-9)11(18)7-2-1-6(16)3-10(7)17/h1-5,16-17H,(H2,13,19)
InChIKeyNBQUIJXETRZRPT-UHFFFAOYSA-N
MW259.22 g/mol
LogP0.22
Rot. Bonds3

About 5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide

5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide (PubChem CID 134996716) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide
PubChem CID134996716
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(C(=O)c2ccc(O)cc2O)cn1
InChIInChI=1S/C12H9N3O4/c13-12(19)9-5-14-8(4-15-9)11(18)7-2-1-6(16)3-10(7)17/h1-5,16-17H,(H2,13,19)
InChIKeyNBQUIJXETRZRPT-UHFFFAOYSA-N
XLogP0.22
TPSA126.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dihydroxybenzoic acid
CID 1491
2,4-dihydroxybenzamide;pyridine
CID 70617308
(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
(2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
CID 57131644
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone
CID 69457104
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
4-(1-hydroxyethenyl)benzene-1,3-diol
CID 89199480
(3,5-ditert-butylphenyl)-(2,4-dihydroxyphenyl)methanone
CID 18186012
2-bromo-4-hydroxybenzamide
CID 103693582
(2,4-dihydroxyphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
CID 66596654

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide (CID 134996716) is 5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide is NC(=O)c1cnc(C(=O)c2ccc(O)cc2O)cn1.
What is the InChIKey of 5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide?
The InChIKey is NBQUIJXETRZRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c13-12(19)9-5-14-8(4-15-9)11(18)7-2-1-6(16)3-10(7)17/h1-5,16-17H,(H2,13,19).
What are the key properties of 5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide?
5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide has a molecular weight of 259.22 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dihydroxybenzoyl)pyrazine-2-carboxamide is sourced from PubChem (CID 134996716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).