3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide

C17H13ClN4O — CID 52937258

IUPAC3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccccc2Cl)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H13ClN4O/c18-13-9-5-4-8-12(13)14-10-20-16(19)15(22-14)17(23)21-11-6-2-1-3-7-11/h1-10H,(H2,19,20)(H,21,23)
InChIKeyGRRRDKOGMLQNSI-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.63
Rot. Bonds3

About 3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide

3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 52937258) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID52937258
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccccc2Cl)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H13ClN4O/c18-13-9-5-4-8-12(13)14-10-20-16(19)15(22-14)17(23)21-11-6-2-1-3-7-11/h1-10H,(H2,19,20)(H,21,23)
InChIKeyGRRRDKOGMLQNSI-UHFFFAOYSA-N
XLogP3.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide (CID 52937258) is 3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide is Nc1ncc(-c2ccccc2Cl)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is GRRRDKOGMLQNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-13-9-5-4-8-12(13)14-10-20-16(19)15(22-14)17(23)21-11-6-2-1-3-7-11/h1-10H,(H2,19,20)(H,21,23).
What are the key properties of 3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).