3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

C14H13N3O5 — CID 20866752

IUPAC3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccc(OC)c(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C14H13N3O5/c1-21-8-3-4-10(22-2)9(7-8)17-13(18)11-12(14(19)20)16-6-5-15-11/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyLPIGDIWKPNCLFK-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.44
Rot. Bonds5

About 3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 20866752) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID20866752
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccc(OC)c(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C14H13N3O5/c1-21-8-3-4-10(22-2)9(7-8)17-13(18)11-12(14(19)20)16-6-5-15-11/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyLPIGDIWKPNCLFK-UHFFFAOYSA-N
XLogP1.44
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 2811387
3-[(2-acetyl-4,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39350763
4-amino-N-(2,5-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688302
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
2-N-(2,5-dimethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090853
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
N-(2,5-dimethoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509292
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
CID 110860541
2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614444
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 20866752) is 3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is COc1ccc(OC)c(NC(=O)c2nccnc2C(=O)O)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is LPIGDIWKPNCLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-21-8-3-4-10(22-2)9(7-8)17-13(18)11-12(14(19)20)16-6-5-15-11/h3-7H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 20866752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).