methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate

C21H20N4O3 — CID 109280991

IUPACmethyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnc(NC(C)c2ccccc2)cn1
InChIInChI=1S/C21H20N4O3/c1-14(15-8-4-3-5-9-15)24-19-13-22-18(12-23-19)20(26)25-17-11-7-6-10-16(17)21(27)28-2/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyZLSUOPAEYABNHP-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.69
Rot. Bonds6

About methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate

methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109280991) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109280991
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namemethyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnc(NC(C)c2ccccc2)cn1
InChIInChI=1S/C21H20N4O3/c1-14(15-8-4-3-5-9-15)24-19-13-22-18(12-23-19)20(26)25-17-11-7-6-10-16(17)21(27)28-2/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyZLSUOPAEYABNHP-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280993
methyl 3-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280992
methyl 2-[[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109292025
methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292564
methyl 2-[[5-(butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109272677
methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109277408
ethyl 2-[[6-(1-phenylethylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109118806
ethyl 2-[[6-(1-phenylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109347622
N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide
CID 109281016
methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535
methyl 2-[[2-(propan-2-ylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247207
ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287450

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate (CID 109280991) is methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cnc(NC(C)c2ccccc2)cn1.
What is the InChIKey of methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is ZLSUOPAEYABNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(15-8-4-3-5-9-15)24-19-13-22-18(12-23-19)20(26)25-17-11-7-6-10-16(17)21(27)28-2/h3-14H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate?
methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 376.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109280991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).