N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide

C23H26N4O — CID 109291780

IUPACN-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide
SMILESCCN(c1ccccc1)c1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C23H26N4O/c1-5-27(17-11-7-6-8-12-17)21-16-24-20(15-25-21)22(28)26-19-14-10-9-13-18(19)23(2,3)4/h6-16H,5H2,1-4H3,(H,26,28)
InChIKeyQJTUGLOYSWEWOY-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.18
Rot. Bonds5

About N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide

N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide (PubChem CID 109291780) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide
PubChem CID109291780
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide
SMILESCCN(c1ccccc1)c1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C23H26N4O/c1-5-27(17-11-7-6-8-12-17)21-16-24-20(15-25-21)22(28)26-19-14-10-9-13-18(19)23(2,3)4/h6-16H,5H2,1-4H3,(H,26,28)
InChIKeyQJTUGLOYSWEWOY-UHFFFAOYSA-N
XLogP5.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109282875
5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109288374
5-(N-ethylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109198553
5-(N-ethylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109291800
5-(N-ethylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109291797
5-(N-ethylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288920
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
CID 109292240
N-(2-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185554
N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281939
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281479

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide (CID 109291780) is N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide is CCN(c1ccccc1)c1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1.
What is the InChIKey of N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide?
The InChIKey is QJTUGLOYSWEWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-5-27(17-11-7-6-8-12-17)21-16-24-20(15-25-21)22(28)26-19-14-10-9-13-18(19)23(2,3)4/h6-16H,5H2,1-4H3,(H,26,28).
What are the key properties of N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide?
N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109291780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).