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

C20H17FN4O3 — CID 109292458

IUPACethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(Nc2ccccc2F)cn1
InChIInChI=1S/C20H17FN4O3/c1-2-28-20(27)13-7-3-5-9-15(13)25-19(26)17-11-23-18(12-22-17)24-16-10-6-4-8-14(16)21/h3-12H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyAXZUWLNRQOTSRY-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.79
Rot. Bonds6

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

ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109292458) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109292458
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Nameethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(Nc2ccccc2F)cn1
InChIInChI=1S/C20H17FN4O3/c1-2-28-20(27)13-7-3-5-9-15(13)25-19(26)17-11-23-18(12-22-17)24-16-10-6-4-8-14(16)21/h3-12H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyAXZUWLNRQOTSRY-UHFFFAOYSA-N
XLogP3.79
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287450
ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109290006
ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109284014
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
ethyl 2-[[5-(cycloheptylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287547
ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109189577
ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109280481
methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292564
5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109292424
ethyl 2-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877855
ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109184186
ethyl 2-[[5-[(2,4-difluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164884

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate (CID 109292458) is ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cnc(Nc2ccccc2F)cn1.
What is the InChIKey of ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is AXZUWLNRQOTSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-2-28-20(27)13-7-3-5-9-15(13)25-19(26)17-11-23-18(12-22-17)24-16-10-6-4-8-14(16)21/h3-12H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate?
ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 380.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109292458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).