N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide

C20H17N5O — CID 109290955

IUPACN-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(C)c(Nc2cnc(C(=O)Nc3ccccc3C#N)cn2)c1
InChIInChI=1S/C20H17N5O/c1-13-7-8-14(2)17(9-13)24-19-12-22-18(11-23-19)20(26)25-16-6-4-3-5-15(16)10-21/h3-9,11-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyHEVFWLRATBGPSS-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.96
Rot. Bonds4

About N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide

N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109290955) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109290955
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(C)c(Nc2cnc(C(=O)Nc3ccccc3C#N)cn2)c1
InChIInChI=1S/C20H17N5O/c1-13-7-8-14(2)17(9-13)24-19-12-22-18(11-23-19)20(26)25-16-6-4-3-5-15(16)10-21/h3-9,11-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyHEVFWLRATBGPSS-UHFFFAOYSA-N
XLogP3.96
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
N-(2-cyanophenyl)-5-(2-ethylanilino)pyrazine-2-carboxamide
CID 109291580
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280482
N-(2-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271145
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
CID 109294144
N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289795
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960
N-(2-cyanophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294662
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide (CID 109290955) is N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide is Cc1ccc(C)c(Nc2cnc(C(=O)Nc3ccccc3C#N)cn2)c1.
What is the InChIKey of N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is HEVFWLRATBGPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-7-8-14(2)17(9-13)24-19-12-22-18(11-23-19)20(26)25-16-6-4-3-5-15(16)10-21/h3-9,11-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide?
N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).