5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide

C24H28N4O — CID 109282875

IUPAC5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C24H28N4O/c1-5-28(17-18-11-7-6-8-12-18)22-16-25-21(15-26-22)23(29)27-20-14-10-9-13-19(20)24(2,3)4/h6-16H,5,17H2,1-4H3,(H,27,29)
InChIKeyZJRNYADFLCCCAI-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.05
Rot. Bonds6

About 5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide

5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide (PubChem CID 109282875) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
PubChem CID109282875
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C24H28N4O/c1-5-28(17-18-11-7-6-8-12-18)22-16-25-21(15-26-22)23(29)27-20-14-10-9-13-19(20)24(2,3)4/h6-16H,5,17H2,1-4H3,(H,27,29)
InChIKeyZJRNYADFLCCCAI-UHFFFAOYSA-N
XLogP5.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-5-(N-ethylanilino)pyrazine-2-carboxamide
CID 109291780
N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
CID 109279650
5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109288374
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281796
5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109282839
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109282890
N-(2-cyanophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286969
5-(diethylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109286882
5-[benzyl(ethyl)amino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109190820
N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
CID 109282583
[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274289

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide (CID 109282875) is 5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide is CCN(Cc1ccccc1)c1cnc(C(=O)Nc2ccccc2C(C)(C)C)cn1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide?
The InChIKey is ZJRNYADFLCCCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-5-28(17-18-11-7-6-8-12-18)22-16-25-21(15-26-22)23(29)27-20-14-10-9-13-19(20)24(2,3)4/h6-16H,5,17H2,1-4H3,(H,27,29).
What are the key properties of 5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide?
5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109282875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).