N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide

C12H7FN4O — CID 103820427

IUPACN-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnccn2)c(F)c1
InChIInChI=1S/C12H7FN4O/c13-9-5-8(6-14)1-2-10(9)17-12(18)11-7-15-3-4-16-11/h1-5,7H,(H,17,18)
InChIKeyOPSCTAIWSXYFQQ-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.74
Rot. Bonds2

About N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide

N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 103820427) has the molecular formula C12H7FN4O and a molecular weight of 242.21 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide
PubChem CID103820427
Molecular FormulaC12H7FN4O
Molecular Weight242.21 g/mol
Exact Mass242.06
IUPAC NameN-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnccn2)c(F)c1
InChIInChI=1S/C12H7FN4O/c13-9-5-8(6-14)1-2-10(9)17-12(18)11-7-15-3-4-16-11/h1-5,7H,(H,17,18)
InChIKeyOPSCTAIWSXYFQQ-UHFFFAOYSA-N
XLogP1.74
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62199009
N-(4-cyano-2-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070875
N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103822749
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
N-(2-amino-4-chlorophenyl)pyrazine-2-carboxamide
CID 16777409
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107033219
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide (CID 103820427) is N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide is N#Cc1ccc(NC(=O)c2cnccn2)c(F)c1.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is OPSCTAIWSXYFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O/c13-9-5-8(6-14)1-2-10(9)17-12(18)11-7-15-3-4-16-11/h1-5,7H,(H,17,18).
What are the key properties of N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide?
N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 242.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103820427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).