N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C21H20N2O4 — CID 119046569

About N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 119046569) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
• PubChem CID: 119046569
• Molecular Formula: C21H20N2O4
• Molecular Weight: 364.40 g/mol
• Exact Mass: 364.14
• IUPAC Name: N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
• SMILES: CC1(C)Cc2cccc(NC(=O)c3ccc(Cn4ccccc4=O)o3)c2O1
• InChI: InChI=1S/C21H20N2O4/c1-21(2)12-14-6-5-7-16(19(14)27-21)22-20(25)17-10-9-15(26-17)13-23-11-4-3-8-18(23)24/h3-11H,12-13H2,1-2H3,(H,22,25)
• InChIKey: ZWBZBOMCTTXHFC-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 73.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.40
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 119046569) is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is CC1(C)Cc2cccc(NC(=O)c3ccc(Cn4ccccc4=O)o3)c2O1.

What is the InChIKey of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The InChIKey is ZWBZBOMCTTXHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-21(2)12-14-6-5-7-16(19(14)27-21)22-20(25)17-10-9-15(26-17)13-23-11-4-3-8-18(23)24/h3-11H,12-13H2,1-2H3,(H,22,25).

What are the key properties of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 119046569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).