5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide

C20H21N3O4 — CID 126467458

About 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide

5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide (PubChem CID 126467458) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
• PubChem CID: 126467458
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
• SMILES: NC(=O)c1cncc(-c2cccc3c2OC(CNC(=O)C2CCCO2)C3)c1
• InChI: InChI=1S/C20H21N3O4/c21-19(24)14-7-13(9-22-10-14)16-4-1-3-12-8-15(27-18(12)16)11-23-20(25)17-5-2-6-26-17/h1,3-4,7,9-10,15,17H,2,5-6,8,11H2,(H2,21,24)(H,23,25)
• InChIKey: GMQLUJHZJIWLCD-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 103.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?

The IUPAC name of 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide (CID 126467458) is 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide is NC(=O)c1cncc(-c2cccc3c2OC(CNC(=O)C2CCCO2)C3)c1.

What is the InChIKey of 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?

The InChIKey is GMQLUJHZJIWLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c21-19(24)14-7-13(9-22-10-14)16-4-1-3-12-8-15(27-18(12)16)11-23-20(25)17-5-2-6-26-17/h1,3-4,7,9-10,15,17H,2,5-6,8,11H2,(H2,21,24)(H,23,25).

What are the key properties of 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide?

5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(oxolane-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 126467458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).