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

C18H22N4O3 — CID 109287450

IUPACethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(NC(C)(C)C)cn1
InChIInChI=1S/C18H22N4O3/c1-5-25-17(24)12-8-6-7-9-13(12)21-16(23)14-10-20-15(11-19-14)22-18(2,3)4/h6-11H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyGCJGPAMODJLXRW-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.12
Rot. Bonds5

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

ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109287450) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109287450
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nameethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(NC(C)(C)C)cn1
InChIInChI=1S/C18H22N4O3/c1-5-25-17(24)12-8-6-7-9-13(12)21-16(23)14-10-20-15(11-19-14)22-18(2,3)4/h6-11H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyGCJGPAMODJLXRW-UHFFFAOYSA-N
XLogP3.12
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109284014
ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292458
ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109280481
ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109290006
5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109287391
N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109287425
ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109184186
methyl 2-[[5-(butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109272677
ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109179823
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914
methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109277408
ethyl 2-[[5-(cyclopropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate (CID 109287450) is ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cnc(NC(C)(C)C)cn1.
What is the InChIKey of ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is GCJGPAMODJLXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-5-25-17(24)12-8-6-7-9-13(12)21-16(23)14-10-20-15(11-19-14)22-18(2,3)4/h6-11H,5H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate?
ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109287450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).