N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide

C21H21N3O2 — CID 52941142

IUPACN-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-4-26-18-7-5-16(6-8-18)19-12-22-13-20(24-19)21(25)23-17-10-14(2)9-15(3)11-17/h5-13H,4H2,1-3H3,(H,23,25)
InChIKeyKFGUDEORIBZTGM-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.41
Rot. Bonds5

About N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide

N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 52941142) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
PubChem CID52941142
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-4-26-18-7-5-16(6-8-18)19-12-22-13-20(24-19)21(25)23-17-10-14(2)9-15(3)11-17/h5-13H,4H2,1-3H3,(H,23,25)
InChIKeyKFGUDEORIBZTGM-UHFFFAOYSA-N
XLogP4.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-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 N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide (CID 52941142) is N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide is CCOc1ccc(-c2cncc(C(=O)Nc3cc(C)cc(C)c3)n2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is KFGUDEORIBZTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-4-26-18-7-5-16(6-8-18)19-12-22-13-20(24-19)21(25)23-17-10-14(2)9-15(3)11-17/h5-13H,4H2,1-3H3,(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide?
N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-(4-ethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 52941142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).