5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide

C21H22N4O3 — CID 109290731

IUPAC5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(Nc2cnc(C(=O)Nc3ccc(C)cc3C)cn2)c1
InChIInChI=1S/C21H22N4O3/c1-13-5-7-16(14(2)9-13)25-21(26)18-11-23-20(12-22-18)24-17-10-15(27-3)6-8-19(17)28-4/h5-12H,1-4H3,(H,23,24)(H,25,26)
InChIKeyCVCWYQCFFFPVRV-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.11
Rot. Bonds6

About 5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide

5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109290731) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109290731
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(Nc2cnc(C(=O)Nc3ccc(C)cc3C)cn2)c1
InChIInChI=1S/C21H22N4O3/c1-13-5-7-16(14(2)9-13)25-21(26)18-11-23-20(12-22-18)24-17-10-15(27-3)6-8-19(17)28-4/h5-12H,1-4H3,(H,23,24)(H,25,26)
InChIKeyCVCWYQCFFFPVRV-UHFFFAOYSA-N
XLogP4.11
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
5-(2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109291247
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290799
N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109292936
5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109293826
5-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293895
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
N-(2,5-dimethoxyphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374016
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293804
N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848850

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide (CID 109290731) is 5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide is COc1ccc(OC)c(Nc2cnc(C(=O)Nc3ccc(C)cc3C)cn2)c1.
What is the InChIKey of 5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is CVCWYQCFFFPVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-5-7-16(14(2)9-13)25-21(26)18-11-23-20(12-22-18)24-17-10-15(27-3)6-8-19(17)28-4/h5-12H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).