3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid

C13H7FN4O3 — CID 39039205

IUPAC3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESN#Cc1cc(F)ccc1NC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C13H7FN4O3/c14-8-1-2-9(7(5-8)6-15)18-12(19)10-11(13(20)21)17-4-3-16-10/h1-5H,(H,18,19)(H,20,21)
InChIKeyZTFKCPGPIPZLCF-UHFFFAOYSA-N
MW286.22 g/mol
LogP1.44
Rot. Bonds3

About 3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 39039205) has the molecular formula C13H7FN4O3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID39039205
Molecular FormulaC13H7FN4O3
Molecular Weight286.22 g/mol
Exact Mass286.05
IUPAC Name3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESN#Cc1cc(F)ccc1NC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C13H7FN4O3/c14-8-1-2-9(7(5-8)6-15)18-12(19)10-11(13(20)21)17-4-3-16-10/h1-5H,(H,18,19)(H,20,21)
InChIKeyZTFKCPGPIPZLCF-UHFFFAOYSA-N
XLogP1.44
TPSA115.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 79953368
N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 82016209
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 79953680
N-(2-cyano-4-fluorophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105072391
N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 82016159
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 79954178

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 39039205) is 3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid is N#Cc1cc(F)ccc1NC(=O)c1nccnc1C(=O)O.
What is the InChIKey of 3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is ZTFKCPGPIPZLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4O3/c14-8-1-2-9(7(5-8)6-15)18-12(19)10-11(13(20)21)17-4-3-16-10/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 286.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 39039205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).