6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide

C15H10N2O4 — CID 59401331

IUPAC6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C=O)c3ccoc23)nc1
InChIInChI=1S/C15H10N2O4/c16-15(19)9-2-4-13(17-7-9)21-12-3-1-10(8-18)11-5-6-20-14(11)12/h1-8H,(H2,16,19)
InChIKeyLOKIVEVFLCVCEZ-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.53
Rot. Bonds4

About 6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide

6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide (PubChem CID 59401331) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide
PubChem CID59401331
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C=O)c3ccoc23)nc1
InChIInChI=1S/C15H10N2O4/c16-15(19)9-2-4-13(17-7-9)21-12-3-1-10(8-18)11-5-6-20-14(11)12/h1-8H,(H2,16,19)
InChIKeyLOKIVEVFLCVCEZ-UHFFFAOYSA-N
XLogP2.53
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide (CID 59401331) is 6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(C=O)c3ccoc23)nc1.
What is the InChIKey of 6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide?
The InChIKey is LOKIVEVFLCVCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c16-15(19)9-2-4-13(17-7-9)21-12-3-1-10(8-18)11-5-6-20-14(11)12/h1-8H,(H2,16,19).
What are the key properties of 6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide?
6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-formyl-1-benzofuran-7-yl)oxy]pyridine-3-carboxamide is sourced from PubChem (CID 59401331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).