3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid

C15H13N3O5 — CID 5307879

IUPAC3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCOC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1
InChIInChI=1S/C15H13N3O5/c1-2-23-15(22)9-3-5-10(6-4-9)18-13(19)11-12(14(20)21)17-8-7-16-11/h3-8H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyMATCWNLSAANMLQ-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.60
Rot. Bonds5

About 3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 5307879) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is 3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID5307879
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCOC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1
InChIInChI=1S/C15H13N3O5/c1-2-23-15(22)9-3-5-10(6-4-9)18-13(19)11-12(14(20)21)17-8-7-16-11/h3-8H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyMATCWNLSAANMLQ-UHFFFAOYSA-N
XLogP1.60
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 5307879) is 3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid is CCOC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is MATCWNLSAANMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-2-23-15(22)9-3-5-10(6-4-9)18-13(19)11-12(14(20)21)17-8-7-16-11/h3-8H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 315.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 5307879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).