ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate

C22H22N4O3 — CID 109284014

IUPACethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(NCCc2ccccc2)cn1
InChIInChI=1S/C22H22N4O3/c1-2-29-22(28)17-10-6-7-11-18(17)26-21(27)19-14-25-20(15-24-19)23-13-12-16-8-4-3-5-9-16/h3-11,14-15H,2,12-13H2,1H3,(H,23,25)(H,26,27)
InChIKeyQGUARYSJHJMUBR-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.56
Rot. Bonds8

About ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate

ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109284014) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109284014
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Nameethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(NCCc2ccccc2)cn1
InChIInChI=1S/C22H22N4O3/c1-2-29-22(28)17-10-6-7-11-18(17)26-21(27)19-14-25-20(15-24-19)23-13-12-16-8-4-3-5-9-16/h3-11,14-15H,2,12-13H2,1H3,(H,23,25)(H,26,27)
InChIKeyQGUARYSJHJMUBR-UHFFFAOYSA-N
XLogP3.56
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109280481
ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287450
ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292458
methyl 2-[[5-(butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109272677
ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109290006
methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109277408
ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109184186
5-[2-(3-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289155
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
methyl 2-[[5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109275623
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate (CID 109284014) is ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cnc(NCCc2ccccc2)cn1.
What is the InChIKey of ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is QGUARYSJHJMUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-29-22(28)17-10-6-7-11-18(17)26-21(27)19-14-25-20(15-24-19)23-13-12-16-8-4-3-5-9-16/h3-11,14-15H,2,12-13H2,1H3,(H,23,25)(H,26,27).
What are the key properties of ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate?
ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 390.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109284014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).