2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid

C13H11N3O5 — CID 107208827

IUPAC2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
SMILESCOc1cc(NC(=O)c2c[nH]c(=O)cn2)ccc1C(=O)O
InChIInChI=1S/C13H11N3O5/c1-21-10-4-7(2-3-8(10)13(19)20)16-12(18)9-5-15-11(17)6-14-9/h2-6H,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyUHXIPHQWIGBYPT-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.73
Rot. Bonds4

About 2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid

2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid (PubChem CID 107208827) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
PubChem CID107208827
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
SMILESCOc1cc(NC(=O)c2c[nH]c(=O)cn2)ccc1C(=O)O
InChIInChI=1S/C13H11N3O5/c1-21-10-4-7(2-3-8(10)13(19)20)16-12(18)9-5-15-11(17)6-14-9/h2-6H,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyUHXIPHQWIGBYPT-UHFFFAOYSA-N
XLogP0.73
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid
CID 107209397
4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
CID 107208628
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
4-(1H-imidazol-5-ylmethylcarbamoylamino)-2-methoxybenzoic acid
CID 107209504
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 114840542
4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208712
2-methoxy-4-(4-methoxypentanoylamino)benzoic acid
CID 107208767
2-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]benzoic acid
CID 136829861
2-methoxy-4-[(5-methylpyrimidin-2-yl)amino]benzoic acid
CID 107208994
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid
CID 107208052
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid (CID 107208827) is 2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid is COc1cc(NC(=O)c2c[nH]c(=O)cn2)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid?
The InChIKey is UHXIPHQWIGBYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-21-10-4-7(2-3-8(10)13(19)20)16-12(18)9-5-15-11(17)6-14-9/h2-6H,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid?
2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid has a molecular weight of 289.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107208827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).