N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide

C13H11F2N3O — CID 110795606

IUPACN-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1F)c1cnccn1
InChIInChI=1S/C13H11F2N3O/c14-10-2-1-9(11(15)7-10)3-4-18-13(19)12-8-16-5-6-17-12/h1-2,5-8H,3-4H2,(H,18,19)
InChIKeyUNYTVCWLDVPVGA-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.73
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide

N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 110795606) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID110795606
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1F)c1cnccn1
InChIInChI=1S/C13H11F2N3O/c14-10-2-1-9(11(15)7-10)3-4-18-13(19)12-8-16-5-6-17-12/h1-2,5-8H,3-4H2,(H,18,19)
InChIKeyUNYTVCWLDVPVGA-UHFFFAOYSA-N
XLogP1.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
6-chloro-N-[2-(2,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
CID 86025945
1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea
CID 25497888
N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide
CID 49003633
N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 51091511
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284313
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxyacetamide
CID 115140069
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574
N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 27797325

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide (CID 110795606) is N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1ccc(F)cc1F)c1cnccn1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is UNYTVCWLDVPVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-10-2-1-9(11(15)7-10)3-4-18-13(19)12-8-16-5-6-17-12/h1-2,5-8H,3-4H2,(H,18,19).
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110795606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).