N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide

C24H29N3O2 — CID 78152352

IUPACN,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide
SMILESCC1NC(C(C)(C)C)=C(C(=O)NCc2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H29N3O2/c1-17-23(29)27(16-19-13-9-6-10-14-19)20(21(26-17)24(2,3)4)22(28)25-15-18-11-7-5-8-12-18/h5-14,17,26H,15-16H2,1-4H3,(H,25,28)
InChIKeyAZVNMBGEPNHRTK-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.58
Rot. Bonds5

About N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide

N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide (PubChem CID 78152352) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide.

Molecular Properties

Compound NameN,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide
PubChem CID78152352
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC NameN,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide
SMILESCC1NC(C(C)(C)C)=C(C(=O)NCc2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H29N3O2/c1-17-23(29)27(16-19-13-9-6-10-14-19)20(21(26-17)24(2,3)4)22(28)25-15-18-11-7-5-8-12-18/h5-14,17,26H,15-16H2,1-4H3,(H,25,28)
InChIKeyAZVNMBGEPNHRTK-UHFFFAOYSA-N
XLogP3.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 7129188
4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide
CID 78152356
N-benzyl-3,5-ditert-butylbenzamide
CID 11267280
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
3-benzyl-6-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 82380265
(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
CID 100953267
N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
1-benzyl-3,6-ditert-butylpiperazine-2,5-dione
CID 64902852
2-[4-[[3-[(3-amino-3-methylbutanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-benzylbenzamide
CID 19025564
N-benzyl-2,5-dimethylpiperazine-1-carboxamide
CID 107654149
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
methyl 3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 134346997

Frequently Asked Questions

What is the IUPAC name of N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide?
The IUPAC name of N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide (CID 78152352) is N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide.
What is the SMILES notation for N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide?
The canonical SMILES for N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide is CC1NC(C(C)(C)C)=C(C(=O)NCc2ccccc2)N(Cc2ccccc2)C1=O.
What is the InChIKey of N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide?
The InChIKey is AZVNMBGEPNHRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-23(29)27(16-19-13-9-6-10-14-19)20(21(26-17)24(2,3)4)22(28)25-15-18-11-7-5-8-12-18/h5-14,17,26H,15-16H2,1-4H3,(H,25,28).
What are the key properties of N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide?
N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide is sourced from PubChem (CID 78152352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).