N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide

C13H11F2N3O — CID 27797325

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1cnccn1)c1ccc(F)cc1F
InChIInChI=1S/C13H11F2N3O/c1-8(10-3-2-9(14)6-11(10)15)18-13(19)12-7-16-4-5-17-12/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKeyCKSNWFOXQNEFNH-MRVPVSSYSA-N
MW263.25 g/mol
LogP2.25
Rot. Bonds3

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 27797325) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID27797325
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1cnccn1)c1ccc(F)cc1F
InChIInChI=1S/C13H11F2N3O/c1-8(10-3-2-9(14)6-11(10)15)18-13(19)12-7-16-4-5-17-12/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKeyCKSNWFOXQNEFNH-MRVPVSSYSA-N
XLogP2.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 62787678
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
CID 30479888
2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114917734
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 42959972
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 51150401
N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 56740174
N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
CID 20782723

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide (CID 27797325) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide is C[C@@H](NC(=O)c1cnccn1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is CKSNWFOXQNEFNH-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-8(10-3-2-9(14)6-11(10)15)18-13(19)12-7-16-4-5-17-12/h2-8H,1H3,(H,18,19)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 27797325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).