3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid

C14H13N3O3 — CID 1207738

IUPAC3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCCc1ccccc1
InChIInChI=1S/C14H13N3O3/c18-13(11-12(14(19)20)16-9-8-15-11)17-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,18)(H,19,20)
InChIKeyVZWZQEGPXVCILX-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.15
Rot. Bonds5

About 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid

3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid (PubChem CID 1207738) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
PubChem CID1207738
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCCc1ccccc1
InChIInChI=1S/C14H13N3O3/c18-13(11-12(14(19)20)16-9-8-15-11)17-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,18)(H,19,20)
InChIKeyVZWZQEGPXVCILX-UHFFFAOYSA-N
XLogP1.15
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate
CID 6974189
3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 39310617
3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 53271007
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
3-hydroxy-4-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 21088902
2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 1109048
N-(2-phenylethyl)pyridazine-3-carboxamide
CID 5299221
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63615886
3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 75512255

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid (CID 1207738) is 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)NCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid?
The InChIKey is VZWZQEGPXVCILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(11-12(14(19)20)16-9-8-15-11)17-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid?
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 1207738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).