N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide

C23H26N4O3 — CID 143646336

IUPACN-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cccc(Nc2nc(-c3cccc(C)c3C)cn(C)c2=O)c1
InChIInChI=1S/C23H26N4O3/c1-5-30-14-21(28)24-17-9-7-10-18(12-17)25-22-23(29)27(4)13-20(26-22)19-11-6-8-15(2)16(19)3/h6-13H,5,14H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyBCJQZQHXGHYOSA-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.78
Rot. Bonds7

About N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide

N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide (PubChem CID 143646336) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide
PubChem CID143646336
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cccc(Nc2nc(-c3cccc(C)c3C)cn(C)c2=O)c1
InChIInChI=1S/C23H26N4O3/c1-5-30-14-21(28)24-17-9-7-10-18(12-17)25-22-23(29)27(4)13-20(26-22)19-11-6-8-15(2)16(19)3/h6-13H,5,14H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyBCJQZQHXGHYOSA-UHFFFAOYSA-N
XLogP3.78
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide 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

3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
CID 68605567
1-[2-amino-4-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]piperidine-4-carboxamide
CID 143646223
oxolan-3-yl N-[3-[[6-(3-amino-2-methylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate
CID 143293362
4-tert-butyl-N-[3-[6-[3-(hydroxymethyl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 11852272
4-tert-butyl-N-[3-[6-[4-(hydroxymethyl)-3-methoxyanilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 58729009
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
oxolan-3-yl N-[3-[[6-[3-[benzoyl(2-methylpropyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]carbamate
CID 91393259
3-[3-amino-4-(3-hydroxypyrrolidin-1-yl)anilino]-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
CID 143293259
2-butyl-N-[3-[6-[3-[[cyanomethyl(methyl)amino]methyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 174549019
2-butyl-N-[3-[6-(4-fluoro-3-nitroanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 174549037
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
CID 114307296

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide?
The IUPAC name of N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide (CID 143646336) is N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide?
The canonical SMILES for N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide is CCOCC(=O)Nc1cccc(Nc2nc(-c3cccc(C)c3C)cn(C)c2=O)c1.
What is the InChIKey of N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide?
The InChIKey is BCJQZQHXGHYOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-5-30-14-21(28)24-17-9-7-10-18(12-17)25-22-23(29)27(4)13-20(26-22)19-11-6-8-15(2)16(19)3/h6-13H,5,14H2,1-4H3,(H,24,28)(H,25,26).
What are the key properties of N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide?
N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide has a molecular weight of 406.49 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]-2-ethoxyacetamide is sourced from PubChem (CID 143646336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).