N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide

C20H18N4O2 — CID 109290158

IUPACN-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(Nc3ccc(C)cc3)cn2)c1
InChIInChI=1S/C20H18N4O2/c1-13-6-8-16(9-7-13)23-19-12-21-18(11-22-19)20(26)24-17-5-3-4-15(10-17)14(2)25/h3-12H,1-2H3,(H,22,23)(H,24,26)
InChIKeyTXTJSIKBRLAOBV-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.98
Rot. Bonds5

About N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide

N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide (PubChem CID 109290158) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
PubChem CID109290158
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(Nc3ccc(C)cc3)cn2)c1
InChIInChI=1S/C20H18N4O2/c1-13-6-8-16(9-7-13)23-19-12-21-18(11-22-19)20(26)24-17-5-3-4-15(10-17)14(2)25/h3-12H,1-2H3,(H,22,23)(H,24,26)
InChIKeyTXTJSIKBRLAOBV-UHFFFAOYSA-N
XLogP3.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-acetylphenyl)-5-(4-methylanilino)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
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294044
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109293781
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide (CID 109290158) is N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cnc(Nc3ccc(C)cc3)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide?
The InChIKey is TXTJSIKBRLAOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-6-8-16(9-7-13)23-19-12-21-18(11-22-19)20(26)24-17-5-3-4-15(10-17)14(2)25/h3-12H,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide?
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).