N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide

C21H20F2N4O — CID 109292255

IUPACN-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C21H20F2N4O/c1-21(2,3)14-6-4-5-7-17(14)27-20(28)18-11-25-19(12-24-18)26-13-8-9-15(22)16(23)10-13/h4-12H,1-3H3,(H,25,26)(H,27,28)
InChIKeyZENBBIHAYXTKME-UHFFFAOYSA-N
MW382.41 g/mol
LogP5.05
Rot. Bonds4

About N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide

N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide (PubChem CID 109292255) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
PubChem CID109292255
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C21H20F2N4O/c1-21(2,3)14-6-4-5-7-17(14)27-20(28)18-11-25-19(12-24-18)26-13-8-9-15(22)16(23)10-13/h4-12H,1-3H3,(H,25,26)(H,27,28)
InChIKeyZENBBIHAYXTKME-UHFFFAOYSA-N
XLogP5.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294662
N-(2-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109268225
N-(2,5-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294588
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281479
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
CID 109292240
5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109292270
5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109292424
5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280085
N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide (CID 109292255) is N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide?
The InChIKey is ZENBBIHAYXTKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-21(2,3)14-6-4-5-7-17(14)27-20(28)18-11-25-19(12-24-18)26-13-8-9-15(22)16(23)10-13/h4-12H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide?
N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109292255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).