ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate

C21H20N4O3 — CID 109290006

IUPACethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(Nc2cccc(C)c2)cn1
InChIInChI=1S/C21H20N4O3/c1-3-28-21(27)16-9-4-5-10-17(16)25-20(26)18-12-23-19(13-22-18)24-15-8-6-7-14(2)11-15/h4-13H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQBEDWCJROCWTHU-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.96
Rot. Bonds6

About ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate

ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109290006) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109290006
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Nameethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(Nc2cccc(C)c2)cn1
InChIInChI=1S/C21H20N4O3/c1-3-28-21(27)16-9-4-5-10-17(16)25-20(26)18-12-23-19(13-22-18)24-15-8-6-7-14(2)11-15/h4-13H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQBEDWCJROCWTHU-UHFFFAOYSA-N
XLogP3.96
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109280481
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292458
ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287450
ethyl 2-[[6-methyl-2-(3-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109334961
methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109198079
ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109284014
methyl 4-chloro-3-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109289976
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291158

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate (CID 109290006) is ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cnc(Nc2cccc(C)c2)cn1.
What is the InChIKey of ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is QBEDWCJROCWTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-28-21(27)16-9-4-5-10-17(16)25-20(26)18-12-23-19(13-22-18)24-15-8-6-7-14(2)11-15/h4-13H,3H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate?
ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 376.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109290006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).