5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide

C22H24N4O2 — CID 109292193

IUPAC5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)Nc3c(C)cccc3C(C)C)cn2)c1
InChIInChI=1S/C22H24N4O2/c1-14(2)18-10-5-7-15(3)21(18)26-22(27)19-12-24-20(13-23-19)25-16-8-6-9-17(11-16)28-4/h5-14H,1-4H3,(H,24,25)(H,26,27)
InChIKeyXZCDLYDALDQBCY-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.91
Rot. Bonds6

About 5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide

5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109292193) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109292193
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)Nc3c(C)cccc3C(C)C)cn2)c1
InChIInChI=1S/C22H24N4O2/c1-14(2)18-10-5-7-15(3)21(18)26-22(27)19-12-24-20(13-23-19)25-16-8-6-9-17(11-16)28-4/h5-14H,1-4H3,(H,24,25)(H,26,27)
InChIKeyXZCDLYDALDQBCY-UHFFFAOYSA-N
XLogP4.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109290986
N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293534
5-hydrazinyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 107377417
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
5-(3,5-dimethylanilino)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109291177
5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293523
N-(2-methoxy-5-methylphenyl)-5-(2-methyl-6-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292218
5-(2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109291247
5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109273413
methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535
5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291932
5-(cyclopentylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109274174

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109292193) is 5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide is COc1cccc(Nc2cnc(C(=O)Nc3c(C)cccc3C(C)C)cn2)c1.
What is the InChIKey of 5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is XZCDLYDALDQBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(2)18-10-5-7-15(3)21(18)26-22(27)19-12-24-20(13-23-19)25-16-8-6-9-17(11-16)28-4/h5-14H,1-4H3,(H,24,25)(H,26,27).
What are the key properties of 5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).