3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

C14H13N3O4 — CID 39310617

IUPAC3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H13N3O4/c18-10-3-1-9(2-4-10)5-6-17-13(19)11-12(14(20)21)16-8-7-15-11/h1-4,7-8,18H,5-6H2,(H,17,19)(H,20,21)
InChIKeyCPDCVXAQRVOXQH-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.85
Rot. Bonds5

About 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 39310617) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID39310617
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H13N3O4/c18-10-3-1-9(2-4-10)5-6-17-13(19)11-12(14(20)21)16-8-7-15-11/h1-4,7-8,18H,5-6H2,(H,17,19)(H,20,21)
InChIKeyCPDCVXAQRVOXQH-UHFFFAOYSA-N
XLogP0.85
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (CID 39310617) is 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is CPDCVXAQRVOXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-10-3-1-9(2-4-10)5-6-17-13(19)11-12(14(20)21)16-8-7-15-11/h1-4,7-8,18H,5-6H2,(H,17,19)(H,20,21).
What are the key properties of 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 39310617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).