2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide

C23H22ClN5O2 — CID 16752454

IUPAC2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide
SMILESO=C(CNc1nc(Cl)cn(Cc2ccccc2)c1=O)NCCn1ccc2ccccc21
InChIInChI=1S/C23H22ClN5O2/c24-20-16-29(15-17-6-2-1-3-7-17)23(31)22(27-20)26-14-21(30)25-11-13-28-12-10-18-8-4-5-9-19(18)28/h1-10,12,16H,11,13-15H2,(H,25,30)(H,26,27)
InChIKeyXSWBSFBVQXKLQB-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.13
Rot. Bonds8

About 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide

2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide (PubChem CID 16752454) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide
PubChem CID16752454
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide
SMILESO=C(CNc1nc(Cl)cn(Cc2ccccc2)c1=O)NCCn1ccc2ccccc21
InChIInChI=1S/C23H22ClN5O2/c24-20-16-29(15-17-6-2-1-3-7-17)23(31)22(27-20)26-14-21(30)25-11-13-28-12-10-18-8-4-5-9-19(18)28/h1-10,12,16H,11,13-15H2,(H,25,30)(H,26,27)
InChIKeyXSWBSFBVQXKLQB-UHFFFAOYSA-N
XLogP3.13
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide 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

methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate
CID 16752456
1-benzyl-3-(2-indol-1-ylethyl)urea
CID 110748972
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-indol-1-ylethyl)acetamide
CID 108811505
4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide
CID 108750586
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide
CID 75357103
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 71705958
1-(2-phenylethyl)indole
CID 12601752

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide?
The IUPAC name of 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide (CID 16752454) is 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide?
The canonical SMILES for 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide is O=C(CNc1nc(Cl)cn(Cc2ccccc2)c1=O)NCCn1ccc2ccccc21.
What is the InChIKey of 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide?
The InChIKey is XSWBSFBVQXKLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c24-20-16-29(15-17-6-2-1-3-7-17)23(31)22(27-20)26-14-21(30)25-11-13-28-12-10-18-8-4-5-9-19(18)28/h1-10,12,16H,11,13-15H2,(H,25,30)(H,26,27).
What are the key properties of 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide?
2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide has a molecular weight of 435.92 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide is sourced from PubChem (CID 16752454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).