5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide

C17H12F2N4O — CID 109292440

IUPAC5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccccc2F)cn1
InChIInChI=1S/C17H12F2N4O/c18-11-4-3-5-12(8-11)22-17(24)15-9-21-16(10-20-15)23-14-7-2-1-6-13(14)19/h1-10H,(H,21,23)(H,22,24)
InChIKeyYDTOQGUKHKPXSS-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.75
Rot. Bonds4

About 5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide

5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 109292440) has the molecular formula C17H12F2N4O and a molecular weight of 326.31 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
PubChem CID109292440
Molecular FormulaC17H12F2N4O
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccccc2F)cn1
InChIInChI=1S/C17H12F2N4O/c18-11-4-3-5-12(8-11)22-17(24)15-9-21-16(10-20-15)23-14-7-2-1-6-13(14)19/h1-10H,(H,21,23)(H,22,24)
InChIKeyYDTOQGUKHKPXSS-UHFFFAOYSA-N
XLogP3.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109294334
N-(3,4-dichlorophenyl)-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109292450
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293359
5-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293907
N-(2,3-dimethylphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109291387
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109292424
5-(2,5-dichloroanilino)-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109292385

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide (CID 109292440) is 5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide is O=C(Nc1cccc(F)c1)c1cnc(Nc2ccccc2F)cn1.
What is the InChIKey of 5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is YDTOQGUKHKPXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O/c18-11-4-3-5-12(8-11)22-17(24)15-9-21-16(10-20-15)23-14-7-2-1-6-13(14)19/h1-10H,(H,21,23)(H,22,24).
What are the key properties of 5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide?
5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).