N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide

C12H10FN3O — CID 2447986

IUPACN-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C12H10FN3O/c1-8-6-15-11(7-14-8)12(17)16-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,16,17)
InChIKeyFIIZROIASXUOFQ-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.18
Rot. Bonds2

About N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide

N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide (PubChem CID 2447986) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide
PubChem CID2447986
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC NameN-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C12H10FN3O/c1-8-6-15-11(7-14-8)12(17)16-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,16,17)
InChIKeyFIIZROIASXUOFQ-UHFFFAOYSA-N
XLogP2.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide (CID 2447986) is N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is FIIZROIASXUOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-8-6-15-11(7-14-8)12(17)16-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,16,17).
What are the key properties of N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide?
N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 231.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 2447986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).