5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide

C22H21N5O — CID 109292172

IUPAC5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C22H21N5O/c1-3-16-8-6-9-17(4-2)21(16)27-22(28)19-13-25-20(14-24-19)26-18-10-5-7-15(11-18)12-23/h5-11,13-14H,3-4H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyMOCHUHSQCSFCTA-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.47
Rot. Bonds6

About 5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide

5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide (PubChem CID 109292172) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
PubChem CID109292172
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C22H21N5O/c1-3-16-8-6-9-17(4-2)21(16)27-22(28)19-13-25-20(14-24-19)26-18-10-5-7-15(11-18)12-23/h5-11,13-14H,3-4H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyMOCHUHSQCSFCTA-UHFFFAOYSA-N
XLogP4.47
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109287332
N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109289933
2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336643
N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293839
2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267752
N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide
CID 109294627
N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220395
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294044
5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284773
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide (CID 109292172) is 5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide is CCc1cccc(CC)c1NC(=O)c1cnc(Nc2cccc(C#N)c2)cn1.
What is the InChIKey of 5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide?
The InChIKey is MOCHUHSQCSFCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-3-16-8-6-9-17(4-2)21(16)27-22(28)19-13-25-20(14-24-19)26-18-10-5-7-15(11-18)12-23/h5-11,13-14H,3-4H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide?
5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).