N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide

C17H12ClFN4O — CID 109292535

IUPACN-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(Nc2ccc(F)cc2)cn1
InChIInChI=1S/C17H12ClFN4O/c18-11-2-1-3-14(8-11)23-17(24)15-9-21-16(10-20-15)22-13-6-4-12(19)5-7-13/h1-10H,(H,21,22)(H,23,24)
InChIKeyZWIOUVFYWMFPBM-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.26
Rot. Bonds4

About N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide

N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide (PubChem CID 109292535) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
PubChem CID109292535
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC NameN-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(Nc2ccc(F)cc2)cn1
InChIInChI=1S/C17H12ClFN4O/c18-11-2-1-3-14(8-11)23-17(24)15-9-21-16(10-20-15)22-13-6-4-12(19)5-7-13/h1-10H,(H,21,22)(H,23,24)
InChIKeyZWIOUVFYWMFPBM-UHFFFAOYSA-N
XLogP4.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 109292809
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
N-(3-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109199191
5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294618

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide (CID 109292535) is N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1cnc(Nc2ccc(F)cc2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide?
The InChIKey is ZWIOUVFYWMFPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c18-11-2-1-3-14(8-11)23-17(24)15-9-21-16(10-20-15)22-13-6-4-12(19)5-7-13/h1-10H,(H,21,22)(H,23,24).
What are the key properties of N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide?
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide has a molecular weight of 342.76 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109292535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).