3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid

C13H11N3O5 — CID 63262187

IUPAC3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)O)c(O)c1
InChIInChI=1S/C13H11N3O5/c1-21-7-2-3-8(9(17)6-7)12(18)16-11-10(13(19)20)14-4-5-15-11/h2-6,17H,1H3,(H,19,20)(H,15,16,18)
InChIKeyFPUOKLQUYMGWGX-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.14
Rot. Bonds4

About 3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid

3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid (PubChem CID 63262187) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
PubChem CID63262187
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)O)c(O)c1
InChIInChI=1S/C13H11N3O5/c1-21-7-2-3-8(9(17)6-7)12(18)16-11-10(13(19)20)14-4-5-15-11/h2-6,17H,1H3,(H,19,20)(H,15,16,18)
InChIKeyFPUOKLQUYMGWGX-UHFFFAOYSA-N
XLogP1.14
TPSA121.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-hydroxy-5-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262198
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 79737285
6-[(2-hydroxy-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317558
3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63261817
3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid
CID 63260045
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
3-[(3,4-dihydroxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 136904575
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
CID 53485391
3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866752
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid (CID 63262187) is 3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid is COc1ccc(C(=O)Nc2nccnc2C(=O)O)c(O)c1.
What is the InChIKey of 3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is FPUOKLQUYMGWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-21-7-2-3-8(9(17)6-7)12(18)16-11-10(13(19)20)14-4-5-15-11/h2-6,17H,1H3,(H,19,20)(H,15,16,18).
What are the key properties of 3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 289.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63262187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).