3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

C16H13N3O7 — CID 39315015

IUPAC3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C16H13N3O7/c1-25-15(23)8-3-4-9(16(24)26-2)10(7-8)19-13(20)11-12(14(21)22)18-6-5-17-11/h3-7H,1-2H3,(H,19,20)(H,21,22)
InChIKeyQYWRZSVDOCZBNY-UHFFFAOYSA-N
MW359.29 g/mol
LogP1.00
Rot. Bonds5

About 3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 39315015) has the molecular formula C16H13N3O7 and a molecular weight of 359.29 g/mol. Its IUPAC name is 3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID39315015
Molecular FormulaC16H13N3O7
Molecular Weight359.29 g/mol
Exact Mass359.08
IUPAC Name3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C16H13N3O7/c1-25-15(23)8-3-4-9(16(24)26-2)10(7-8)19-13(20)11-12(14(21)22)18-6-5-17-11/h3-7H,1-2H3,(H,19,20)(H,21,22)
InChIKeyQYWRZSVDOCZBNY-UHFFFAOYSA-N
XLogP1.00
TPSA144.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 2811778
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53271000
dimethyl 2-(1,2-oxazole-5-carbonylamino)benzene-1,4-dicarboxylate
CID 110693692
dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate
CID 110689637
2-acetamido-4-methoxycarbonylbenzoic acid
CID 131862461
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270981
3-[(2-acetyl-4,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39350763
dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate
CID 110691213
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
dimethyl 2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzene-1,4-dicarboxylate
CID 3236355

Frequently Asked Questions

What is the IUPAC name of 3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid (CID 39315015) is 3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2nccnc2C(=O)O)c1.
What is the InChIKey of 3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is QYWRZSVDOCZBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O7/c1-25-15(23)8-3-4-9(16(24)26-2)10(7-8)19-13(20)11-12(14(21)22)18-6-5-17-11/h3-7H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 359.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 39315015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).