5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide

C21H22N4O3 — CID 109293523

IUPAC5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)Nc3ccccc3OC(C)C)cn2)c1
InChIInChI=1S/C21H22N4O3/c1-14(2)28-19-10-5-4-9-17(19)25-21(26)18-12-23-20(13-22-18)24-15-7-6-8-16(11-15)27-3/h4-14H,1-3H3,(H,23,24)(H,25,26)
InChIKeyGCXYVGWURRUJSI-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.27
Rot. Bonds7

About 5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide

5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293523) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
PubChem CID109293523
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)Nc3ccccc3OC(C)C)cn2)c1
InChIInChI=1S/C21H22N4O3/c1-14(2)28-19-10-5-4-9-17(19)25-21(26)18-12-23-20(13-22-18)24-15-7-6-8-16(11-15)27-3/h4-14H,1-3H3,(H,23,24)(H,25,26)
InChIKeyGCXYVGWURRUJSI-UHFFFAOYSA-N
XLogP4.27
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293616
5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293839
methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748
N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293534
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293832
2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337491
N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109290986
5-(3,5-dimethylanilino)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109291177
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide (CID 109293523) is 5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide is COc1cccc(Nc2cnc(C(=O)Nc3ccccc3OC(C)C)cn2)c1.
What is the InChIKey of 5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The InChIKey is GCXYVGWURRUJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14(2)28-19-10-5-4-9-17(19)25-21(26)18-12-23-20(13-22-18)24-15-7-6-8-16(11-15)27-3/h4-14H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).