6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide

C14H10F2N4O — CID 175938262

IUPAC6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cncc(C#N)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N4O/c1-8(9-2-3-11(15)12(16)4-9)19-14(21)13-7-18-6-10(5-17)20-13/h2-4,6-8H,1H3,(H,19,21)
InChIKeyORSYUBYQNYXXMT-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.12
Rot. Bonds3

About 6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide

6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 175938262) has the molecular formula C14H10F2N4O and a molecular weight of 288.26 g/mol. Its IUPAC name is 6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID175938262
Molecular FormulaC14H10F2N4O
Molecular Weight288.26 g/mol
Exact Mass288.08
IUPAC Name6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cncc(C#N)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N4O/c1-8(9-2-3-11(15)12(16)4-9)19-14(21)13-7-18-6-10(5-17)20-13/h2-4,6-8H,1H3,(H,19,21)
InChIKeyORSYUBYQNYXXMT-UHFFFAOYSA-N
XLogP2.12
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
CID 134013463
6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide
CID 106551023
6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61040801
N-[1-(3,4-difluorophenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 45355568
N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 18112634
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
N-[1-(3,4-difluorophenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46535131
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 93247266
2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 146985648
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41096263
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide (CID 175938262) is 6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide is CC(NC(=O)c1cncc(C#N)n1)c1ccc(F)c(F)c1.
What is the InChIKey of 6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is ORSYUBYQNYXXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O/c1-8(9-2-3-11(15)12(16)4-9)19-14(21)13-7-18-6-10(5-17)20-13/h2-4,6-8H,1H3,(H,19,21).
What are the key properties of 6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 175938262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).