ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate

C19H22N4O3 — CID 53071687

IUPACethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCN(CC)c3ncccc32)cc1
InChIInChI=1S/C19H22N4O3/c1-3-22-12-13-23(16-6-5-11-20-17(16)22)19(25)21-15-9-7-14(8-10-15)18(24)26-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,21,25)
InChIKeyKULMOLMTQWZXSW-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.14
Rot. Bonds4

About ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate

ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate (PubChem CID 53071687) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
PubChem CID53071687
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nameethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCN(CC)c3ncccc32)cc1
InChIInChI=1S/C19H22N4O3/c1-3-22-12-13-23(16-6-5-11-20-17(16)22)19(25)21-15-9-7-14(8-10-15)18(24)26-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,21,25)
InChIKeyKULMOLMTQWZXSW-UHFFFAOYSA-N
XLogP3.14
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate with MolForge

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Related Compounds

ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
CID 53071615
ethyl 4-[[2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)acetyl]amino]benzoate
CID 171701488
N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071689
4-ethyl-N-(2-phenylethyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071711
ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 86809385
ethyl 4-[[4-(2-chlorophenyl)piperazine-1-carbonyl]amino]benzoate
CID 1245050
ethyl 4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate
CID 108500168
N-(2-ethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071803
ethyl 4-[[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]carbamoylamino]benzoate
CID 71839987
ethyl 4-(2,3-dihydroindole-1-carbothioylamino)benzoate
CID 3516952
ethyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]benzoate
CID 109030572
ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate
CID 970289

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate (CID 53071687) is ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)N2CCN(CC)c3ncccc32)cc1.
What is the InChIKey of ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
The InChIKey is KULMOLMTQWZXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-22-12-13-23(16-6-5-11-20-17(16)22)19(25)21-15-9-7-14(8-10-15)18(24)26-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,21,25).
What are the key properties of ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate is sourced from PubChem (CID 53071687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).