methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate

C21H20N4O4 — CID 109293673

IUPACmethyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCCOc1ccccc1NC(=O)c1cnc(Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C21H20N4O4/c1-3-29-18-7-5-4-6-16(18)25-20(26)17-12-23-19(13-22-17)24-15-10-8-14(9-11-15)21(27)28-2/h4-13H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyNCHZJSPIISFPKG-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.66
Rot. Bonds7

About methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate

methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate (PubChem CID 109293673) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
PubChem CID109293673
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Namemethyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCCOc1ccccc1NC(=O)c1cnc(Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C21H20N4O4/c1-3-29-18-7-5-4-6-16(18)25-20(26)17-12-23-19(13-22-17)24-15-10-8-14(9-11-15)21(27)28-2/h4-13H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyNCHZJSPIISFPKG-UHFFFAOYSA-N
XLogP3.66
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109292315
methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109289688
methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200002
methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109291565
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748
5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293339
6-(4-acetamidoanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109164130
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292564
5-(2-ethoxyanilino)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292013
methyl 4-[[5-(4-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293630

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate (CID 109293673) is methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate is CCOc1ccccc1NC(=O)c1cnc(Nc2ccc(C(=O)OC)cc2)cn1.
What is the InChIKey of methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The InChIKey is NCHZJSPIISFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-3-29-18-7-5-4-6-16(18)25-20(26)17-12-23-19(13-22-17)24-15-10-8-14(9-11-15)21(27)28-2/h4-13H,3H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate has a molecular weight of 392.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 109293673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).