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

C18H14F2N4O — CID 109290108

IUPAC5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccc(F)c(F)c3)cn2)cc1
InChIInChI=1S/C18H14F2N4O/c1-11-2-4-12(5-3-11)24-18(25)16-9-22-17(10-21-16)23-13-6-7-14(19)15(20)8-13/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyDNNWCNVEAJAOKR-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.06
Rot. Bonds4

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

5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109290108) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID109290108
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccc(F)c(F)c3)cn2)cc1
InChIInChI=1S/C18H14F2N4O/c1-11-2-4-12(5-3-11)24-18(25)16-9-22-17(10-21-16)23-13-6-7-14(19)15(20)8-13/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyDNNWCNVEAJAOKR-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
N-(2,5-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294588
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109292255
5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294618
N-(4-chloro-2-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290136

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 109290108) is 5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccc(F)c(F)c3)cn2)cc1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is DNNWCNVEAJAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-11-2-4-12(5-3-11)24-18(25)16-9-22-17(10-21-16)23-13-6-7-14(19)15(20)8-13/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide?
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).