3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate

C14H12N3O3- — CID 6974189

IUPAC3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate
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)/p-1
InChIKeyVZWZQEGPXVCILX-UHFFFAOYSA-M
MW270.27 g/mol
LogP-0.19
Rot. Bonds5

About 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate

3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate (PubChem CID 6974189) has the molecular formula C14H12N3O3- and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Name3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate
PubChem CID6974189
Molecular FormulaC14H12N3O3-
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate
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)/p-1
InChIKeyVZWZQEGPXVCILX-UHFFFAOYSA-M
XLogP-0.19
TPSA95.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate 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-carboxylic acid
CID 1207738
3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 39310617
3-hydroxy-4-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 21088902
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
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
N-(2-phenylethyl)pyridazine-3-carboxamide
CID 5299221
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
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-carboxylate?
The IUPAC name of 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate (CID 6974189) is 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate.
What is the SMILES notation for 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate?
The canonical SMILES for 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate is O=C([O-])c1nccnc1C(=O)NCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate?
The InChIKey is VZWZQEGPXVCILX-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate?
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate has a molecular weight of 270.27 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate is sourced from PubChem (CID 6974189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).