(pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate

C15H11N3O4 — CID 171409896

IUPAC(pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate
SMILESO=C(NCOC(=O)c1cccc2ccoc12)c1cnccn1
InChIInChI=1S/C15H11N3O4/c19-14(12-8-16-5-6-17-12)18-9-22-15(20)11-3-1-2-10-4-7-21-13(10)11/h1-8H,9H2,(H,18,19)
InChIKeyKUTONYNQICMJGS-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.77
Rot. Bonds4

About (pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate

(pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate (PubChem CID 171409896) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is (pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate.

Molecular Properties

Compound Name(pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate
PubChem CID171409896
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name(pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate
SMILESO=C(NCOC(=O)c1cccc2ccoc12)c1cnccn1
InChIInChI=1S/C15H11N3O4/c19-14(12-8-16-5-6-17-12)18-9-22-15(20)11-3-1-2-10-4-7-21-13(10)11/h1-8H,9H2,(H,18,19)
InChIKeyKUTONYNQICMJGS-UHFFFAOYSA-N
XLogP1.77
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate?
The IUPAC name of (pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate (CID 171409896) is (pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate.
What is the SMILES notation for (pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate?
The canonical SMILES for (pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate is O=C(NCOC(=O)c1cccc2ccoc12)c1cnccn1.
What is the InChIKey of (pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate?
The InChIKey is KUTONYNQICMJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-14(12-8-16-5-6-17-12)18-9-22-15(20)11-3-1-2-10-4-7-21-13(10)11/h1-8H,9H2,(H,18,19).
What are the key properties of (pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate?
(pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate has a molecular weight of 297.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (pyrazine-2-carbonylamino)methyl 1-benzofuran-7-carboxylate is sourced from PubChem (CID 171409896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).