5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide

C12H8FN5O — CID 107375402

IUPAC5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnc(N)cn2)ccc1F
InChIInChI=1S/C12H8FN5O/c13-9-2-1-8(3-7(9)4-14)18-12(19)10-5-17-11(15)6-16-10/h1-3,5-6H,(H2,15,17)(H,18,19)
InChIKeyAQXIRWGXRSLDOC-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.32
Rot. Bonds2

About 5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide

5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 107375402) has the molecular formula C12H8FN5O and a molecular weight of 257.23 g/mol. Its IUPAC name is 5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID107375402
Molecular FormulaC12H8FN5O
Molecular Weight257.23 g/mol
Exact Mass257.07
IUPAC Name5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnc(N)cn2)ccc1F
InChIInChI=1S/C12H8FN5O/c13-9-2-1-8(3-7(9)4-14)18-12(19)10-5-17-11(15)6-16-10/h1-3,5-6H,(H2,15,17)(H,18,19)
InChIKeyAQXIRWGXRSLDOC-UHFFFAOYSA-N
XLogP1.32
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 62315667
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580
5-amino-N-(4-bromo-2-cyanophenyl)pyrazine-2-carboxamide
CID 107376526
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
5-amino-N-(4-bromophenyl)pyrazine-2-carboxamide
CID 113381818
2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 113255679
5-amino-N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide
CID 167909237
5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114923271
4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide (CID 107375402) is 5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide is N#Cc1cc(NC(=O)c2cnc(N)cn2)ccc1F.
What is the InChIKey of 5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is AQXIRWGXRSLDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5O/c13-9-2-1-8(3-7(9)4-14)18-12(19)10-5-17-11(15)6-16-10/h1-3,5-6H,(H2,15,17)(H,18,19).
What are the key properties of 5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide?
5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 257.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107375402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).