ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate

C20H25N5O4 — CID 109277715

IUPACethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnc(NCCN3CCOCC3)cn2)cc1
InChIInChI=1S/C20H25N5O4/c1-2-29-20(27)15-3-5-16(6-4-15)24-19(26)17-13-23-18(14-22-17)21-7-8-25-9-11-28-12-10-25/h3-6,13-14H,2,7-12H2,1H3,(H,21,23)(H,24,26)
InChIKeyJBOTUOYDILMRFL-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.65
Rot. Bonds8

About ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate

ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109277715) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109277715
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Nameethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnc(NCCN3CCOCC3)cn2)cc1
InChIInChI=1S/C20H25N5O4/c1-2-29-20(27)15-3-5-16(6-4-15)24-19(26)17-13-23-18(14-22-17)21-7-8-25-9-11-28-12-10-25/h3-6,13-14H,2,7-12H2,1H3,(H,21,23)(H,24,26)
InChIKeyJBOTUOYDILMRFL-UHFFFAOYSA-N
XLogP1.65
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(4-acetylphenyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277702
N-(3-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277688
methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109344521
N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277712
N-(2-morpholin-4-ylethyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277458
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071
ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271524
methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291635
methyl 4-[[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109301520
N-(4-ethylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344479
(4-ethylpiperazin-1-yl)-[5-(2-morpholin-4-ylethylamino)pyrazin-2-yl]methanone
CID 109277598

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate (CID 109277715) is ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cnc(NCCN3CCOCC3)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is JBOTUOYDILMRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-2-29-20(27)15-3-5-16(6-4-15)24-19(26)17-13-23-18(14-22-17)21-7-8-25-9-11-28-12-10-25/h3-6,13-14H,2,7-12H2,1H3,(H,21,23)(H,24,26).
What are the key properties of ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate?
ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 399.45 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109277715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).