5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide

C21H20N4O3 — CID 109293781

IUPAC5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(Nc2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C21H20N4O3/c1-13-7-8-19(28-3)17(9-13)25-21(27)18-11-23-20(12-22-18)24-16-6-4-5-15(10-16)14(2)26/h4-12H,1-3H3,(H,23,24)(H,25,27)
InChIKeyFDZXQTGEBSQEAB-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.99
Rot. Bonds6

About 5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide

5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109293781) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
PubChem CID109293781
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(Nc2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C21H20N4O3/c1-13-7-8-19(28-3)17(9-13)25-21(27)18-11-23-20(12-22-18)24-16-6-4-5-15(10-16)14(2)26/h4-12H,1-3H3,(H,23,24)(H,25,27)
InChIKeyFDZXQTGEBSQEAB-UHFFFAOYSA-N
XLogP3.99
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293322
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129575
5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293918
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292055
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
N-(2-methoxy-5-methylphenyl)-5-(2-methyl-6-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292218
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide (CID 109293781) is 5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cnc(Nc2cccc(C(C)=O)c2)cn1.
What is the InChIKey of 5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is FDZXQTGEBSQEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-7-8-19(28-3)17(9-13)25-21(27)18-11-23-20(12-22-18)24-16-6-4-5-15(10-16)14(2)26/h4-12H,1-3H3,(H,23,24)(H,25,27).
What are the key properties of 5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).