5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide

C20H17N5O2 — CID 109293739

IUPAC5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)cn2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-27-16-9-7-15(8-10-16)24-20(26)18-12-23-19(13-22-18)25-17-6-4-3-5-14(17)11-21/h3-10,12-13H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyWXSXEDKZDSSDKY-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.74
Rot. Bonds6

About 5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide

5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293739) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
PubChem CID109293739
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)cn2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-27-16-9-7-15(8-10-16)24-20(26)18-12-23-19(13-22-18)25-17-6-4-3-5-14(17)11-21/h3-10,12-13H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyWXSXEDKZDSSDKY-UHFFFAOYSA-N
XLogP3.74
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109294665
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
CID 109294144
6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129535
5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289463
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109291428
6-N-(2-cyanophenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100983
N-(2-cyanophenyl)-5-(2-ethylanilino)pyrazine-2-carboxamide
CID 109291580
N-(4-ethoxyphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109293614
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
CID 114059701

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide (CID 109293739) is 5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide is CCOc1ccc(NC(=O)c2cnc(Nc3ccccc3C#N)cn2)cc1.
What is the InChIKey of 5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is WXSXEDKZDSSDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-27-16-9-7-15(8-10-16)24-20(26)18-12-23-19(13-22-18)25-17-6-4-3-5-14(17)11-21/h3-10,12-13H,2H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide?
5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).