methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate

C21H20N4O3 — CID 109291565

IUPACmethyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCc1ccccc1Nc1cnc(C(=O)Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C21H20N4O3/c1-3-14-6-4-5-7-17(14)25-19-13-22-18(12-23-19)20(26)24-16-10-8-15(9-11-16)21(27)28-2/h4-13H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYWMYJOGYADGDIP-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.82
Rot. Bonds6

About methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate

methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109291565) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109291565
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namemethyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCc1ccccc1Nc1cnc(C(=O)Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C21H20N4O3/c1-3-14-6-4-5-7-17(14)25-19-13-22-18(12-23-19)20(26)24-16-10-8-15(9-11-16)21(27)28-2/h4-13H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYWMYJOGYADGDIP-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109293673
methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109289688
5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109291594
methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
methyl 4-[[5-(4-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293630
N-(2-cyanophenyl)-5-(2-ethylanilino)pyrazine-2-carboxamide
CID 109291580
N-(2-ethylphenyl)-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109291492
ethyl 4-[[6-(2-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357274
5-(4-bromoanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291484
methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287411
methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200002
ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291635

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate (CID 109291565) is methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate is CCc1ccccc1Nc1cnc(C(=O)Nc2ccc(C(=O)OC)cc2)cn1.
What is the InChIKey of methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is YWMYJOGYADGDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-14-6-4-5-7-17(14)25-19-13-22-18(12-23-19)20(26)24-16-10-8-15(9-11-16)21(27)28-2/h4-13H,3H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate?
methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 376.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109291565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).