2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid

C12H10N4O4 — CID 110492352

IUPAC2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)Nc1cnccn1
InChIInChI=1S/C12H10N4O4/c17-9-5-7(1-2-8(9)11(18)19)15-12(20)16-10-6-13-3-4-14-10/h1-6,17H,(H,18,19)(H2,14,15,16,20)
InChIKeyOHECKTHZJIKZLM-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.52
Rot. Bonds3

About 2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid

2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid (PubChem CID 110492352) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid
PubChem CID110492352
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)Nc1cnccn1
InChIInChI=1S/C12H10N4O4/c17-9-5-7(1-2-8(9)11(18)19)15-12(20)16-10-6-13-3-4-14-10/h1-6,17H,(H,18,19)(H2,14,15,16,20)
InChIKeyOHECKTHZJIKZLM-UHFFFAOYSA-N
XLogP1.52
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-3-pyrazin-2-ylurea
CID 110492436
1-(3-amino-5-hydroxy-1,2,4-benzotriazin-7-yl)-3-pyrazin-2-ylurea
CID 136658805
1-(4-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
CID 110492464
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid
CID 61186270
2-hydroxy-4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid
CID 43358291
1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea
CID 110492610
1-(4-butylphenyl)-3-pyrazin-2-ylurea
CID 17263249
4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamoyl]-2,5-dihydroxybenzoyl]amino]-2-hydroxybenzoic acid
CID 156760534
2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
CID 61195157
4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61203198

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid (CID 110492352) is 2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)Nc1cnccn1.
What is the InChIKey of 2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid?
The InChIKey is OHECKTHZJIKZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c17-9-5-7(1-2-8(9)11(18)19)15-12(20)16-10-6-13-3-4-14-10/h1-6,17H,(H,18,19)(H2,14,15,16,20).
What are the key properties of 2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid?
2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid has a molecular weight of 274.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid is sourced from PubChem (CID 110492352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).