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

C22H22N4O3 — CID 109280481

IUPACethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(NCc2cccc(C)c2)cn1
InChIInChI=1S/C22H22N4O3/c1-3-29-22(28)17-9-4-5-10-18(17)26-21(27)19-13-25-20(14-23-19)24-12-16-8-6-7-15(2)11-16/h4-11,13-14H,3,12H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHDIQJQNPZGELTM-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.83
Rot. Bonds7

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

ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109280481) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate
PubChem CID109280481
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Nameethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnc(NCc2cccc(C)c2)cn1
InChIInChI=1S/C22H22N4O3/c1-3-29-22(28)17-9-4-5-10-18(17)26-21(27)19-13-25-20(14-23-19)24-12-16-8-6-7-15(2)11-16/h4-11,13-14H,3,12H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHDIQJQNPZGELTM-UHFFFAOYSA-N
XLogP3.83
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109290006
ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109284014
ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109169893
N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280416
ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287450
N-(2-cyanophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280482
N-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280476
ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292458
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
ethyl 2-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112871899
5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109279896
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280422

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate (CID 109280481) is ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cnc(NCc2cccc(C)c2)cn1.
What is the InChIKey of ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is HDIQJQNPZGELTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-29-22(28)17-9-4-5-10-18(17)26-21(27)19-13-25-20(14-23-19)24-12-16-8-6-7-15(2)11-16/h4-11,13-14H,3,12H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate?
ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 390.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[(3-methylphenyl)methylamino]pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109280481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).