5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide

C21H20N4O4 — CID 109293918

IUPAC5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3cccc(C(C)=O)c3)cn2)c(OC)c1
InChIInChI=1S/C21H20N4O4/c1-13(26)14-5-4-6-15(9-14)24-20-12-22-18(11-23-20)21(27)25-17-8-7-16(28-2)10-19(17)29-3/h4-12H,1-3H3,(H,23,24)(H,25,27)
InChIKeyWFSNRXDLMMPPKP-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.69
Rot. Bonds7

About 5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide

5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293918) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
PubChem CID109293918
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3cccc(C(C)=O)c3)cn2)c(OC)c1
InChIInChI=1S/C21H20N4O4/c1-13(26)14-5-4-6-15(9-14)24-20-12-22-18(11-23-20)21(27)25-17-8-7-16(28-2)10-19(17)29-3/h4-12H,1-3H3,(H,23,24)(H,25,27)
InChIKeyWFSNRXDLMMPPKP-UHFFFAOYSA-N
XLogP3.69
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293921
5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293322
5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109293781
N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200228
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293927
N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291979
5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293523
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293534
N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109290986
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide (CID 109293918) is 5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(Nc3cccc(C(C)=O)c3)cn2)c(OC)c1.
What is the InChIKey of 5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is WFSNRXDLMMPPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13(26)14-5-4-6-15(9-14)24-20-12-22-18(11-23-20)21(27)25-17-8-7-16(28-2)10-19(17)29-3/h4-12H,1-3H3,(H,23,24)(H,25,27).
What are the key properties of 5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide?
5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).