5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide

C20H18F2N4O — CID 109291880

IUPAC5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C20H18F2N4O/c1-3-13-7-4-6-12(2)18(13)26-20(27)16-10-24-17(11-23-16)25-19-14(21)8-5-9-15(19)22/h4-11H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyXABRXMMPZFVBNH-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.62
Rot. Bonds5

About 5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide

5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109291880) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
PubChem CID109291880
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C20H18F2N4O/c1-3-13-7-4-6-12(2)18(13)26-20(27)16-10-24-17(11-23-16)25-19-14(21)8-5-9-15(19)22/h4-11H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyXABRXMMPZFVBNH-UHFFFAOYSA-N
XLogP4.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109289933
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786
5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291850
N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
CID 109282031
N-(2-ethyl-6-methylphenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109291856
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109293155
N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287079
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960
5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271349
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
N-(2,6-diethylphenyl)-5-methylpyrazine-2-carboxamide
CID 17441034

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide (CID 109291880) is 5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(Nc2c(F)cccc2F)cn1.
What is the InChIKey of 5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is XABRXMMPZFVBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-3-13-7-4-6-12(2)18(13)26-20(27)16-10-24-17(11-23-16)25-19-14(21)8-5-9-15(19)22/h4-11H,3H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109291880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).