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

C13H11N3O5 — CID 79737285

IUPAC3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)O)cc1O
InChIInChI=1S/C13H11N3O5/c1-21-9-3-2-7(6-8(9)17)12(18)16-11-10(13(19)20)14-4-5-15-11/h2-6,17H,1H3,(H,19,20)(H,15,16,18)
InChIKeyIBYMGEAKNBCEPZ-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.14
Rot. Bonds4

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

3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid (PubChem CID 79737285) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
PubChem CID79737285
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)O)cc1O
InChIInChI=1S/C13H11N3O5/c1-21-9-3-2-7(6-8(9)17)12(18)16-11-10(13(19)20)14-4-5-15-11/h2-6,17H,1H3,(H,19,20)(H,15,16,18)
InChIKeyIBYMGEAKNBCEPZ-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-[(3,4-dihydroxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 136904575
3-[(2-hydroxy-5-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262198
3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63261817
3-[(2-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262187
3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid
CID 63262203
3-hydroxy-4-methoxybenzoic acid
CID 12575
3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80716625
3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262062
3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 107949162
N-(3-hydroxy-2-pyridinyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46663784
N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid (CID 79737285) is 3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid is COc1ccc(C(=O)Nc2nccnc2C(=O)O)cc1O.
What is the InChIKey of 3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is IBYMGEAKNBCEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-21-9-3-2-7(6-8(9)17)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-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid?
3-[(3-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-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 79737285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).