ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate

C14H14N4O5 — CID 108733786

IUPACethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)c2cnccn2)c1C(N)=O
InChIInChI=1S/C14H14N4O5/c1-3-22-14(21)9-7(2)23-13(10(9)11(15)19)18-12(20)8-6-16-4-5-17-8/h4-6H,3H2,1-2H3,(H2,15,19)(H,18,20)
InChIKeySKHWPQNQBZOSLB-UHFFFAOYSA-N
MW318.29 g/mol
LogP0.91
Rot. Bonds5

About ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate

ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate (PubChem CID 108733786) has the molecular formula C14H14N4O5 and a molecular weight of 318.29 g/mol. Its IUPAC name is ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate
PubChem CID108733786
Molecular FormulaC14H14N4O5
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC Nameethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)c2cnccn2)c1C(N)=O
InChIInChI=1S/C14H14N4O5/c1-3-22-14(21)9-7(2)23-13(10(9)11(15)19)18-12(20)8-6-16-4-5-17-8/h4-6H,3H2,1-2H3,(H2,15,19)(H,18,20)
InChIKeySKHWPQNQBZOSLB-UHFFFAOYSA-N
XLogP0.91
TPSA137.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 4-carbamoyl-2-methyl-5-[(2-phenoxyacetyl)amino]furan-3-carboxylate
CID 108733676
ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate
CID 108733797
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
CID 108757037
ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate
CID 108774168
diethyl 2-[(3,4-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762099
ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
CID 9202543
diethyl 2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762112
ethyl 4-(4-fluorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
CID 4570373
N-(3-carbamoyl-5-ethylthiophen-2-yl)pyrazine-2-carboxamide
CID 35523827
diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate
CID 108762104

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate (CID 108733786) is ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)c2cnccn2)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate?
The InChIKey is SKHWPQNQBZOSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5/c1-3-22-14(21)9-7(2)23-13(10(9)11(15)19)18-12(20)8-6-16-4-5-17-8/h4-6H,3H2,1-2H3,(H2,15,19)(H,18,20).
What are the key properties of ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate?
ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate has a molecular weight of 318.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate is sourced from PubChem (CID 108733786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).