5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide

C19H16F2N4O — CID 109291773

IUPAC5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2c(F)cccc2F)cn1)c1ccccc1
InChIInChI=1S/C19H16F2N4O/c1-2-25(13-7-4-3-5-8-13)19(26)16-11-23-17(12-22-16)24-18-14(20)9-6-10-15(18)21/h3-12H,2H2,1H3,(H,23,24)
InChIKeyZWDSDAFXRMSLQJ-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.17
Rot. Bonds5

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

5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide (PubChem CID 109291773) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
PubChem CID109291773
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2c(F)cccc2F)cn1)c1ccccc1
InChIInChI=1S/C19H16F2N4O/c1-2-25(13-7-4-3-5-8-13)19(26)16-11-23-17(12-22-16)24-18-14(20)9-6-10-15(18)21/h3-12H,2H2,1H3,(H,23,24)
InChIKeyZWDSDAFXRMSLQJ-UHFFFAOYSA-N
XLogP4.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
N-ethyl-5-(3-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291751
5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291719
N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
5-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291721
N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272245
5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109282125
N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109290010
N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
CID 109287186
5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290211
5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271349
5-(3-chloroanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109292815

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide (CID 109291773) is 5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide is CCN(C(=O)c1cnc(Nc2c(F)cccc2F)cn1)c1ccccc1.
What is the InChIKey of 5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is ZWDSDAFXRMSLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-2-25(13-7-4-3-5-8-13)19(26)16-11-23-17(12-22-16)24-18-14(20)9-6-10-15(18)21/h3-12H,2H2,1H3,(H,23,24).
What are the key properties of 5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide?
5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109291773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).