5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide

C20H19N5O2 — CID 109290066

IUPAC5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cnc(C(=O)Nc3ccc(C)cc3)cn2)c1
InChIInChI=1S/C20H19N5O2/c1-13-6-8-15(9-7-13)25-20(27)18-11-22-19(12-21-18)24-17-5-3-4-16(10-17)23-14(2)26/h3-12H,1-2H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyGIJUPWRYIUYNLN-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.74
Rot. Bonds5

About 5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide

5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109290066) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID109290066
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cnc(C(=O)Nc3ccc(C)cc3)cn2)c1
InChIInChI=1S/C20H19N5O2/c1-13-6-8-15(9-7-13)25-20(27)18-11-22-19(12-21-18)24-17-5-3-4-16(10-17)23-14(2)26/h3-12H,1-2H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyGIJUPWRYIUYNLN-UHFFFAOYSA-N
XLogP3.74
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(3-acetamidoanilino)-N-(4-methylphenyl)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

Related Compounds

5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293534
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 109290066) is 5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide is CC(=O)Nc1cccc(Nc2cnc(C(=O)Nc3ccc(C)cc3)cn2)c1.
What is the InChIKey of 5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is GIJUPWRYIUYNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-6-8-15(9-7-13)25-20(27)18-11-22-19(12-21-18)24-17-5-3-4-16(10-17)23-14(2)26/h3-12H,1-2H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of 5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).