N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C16H16N2O4 — CID 51084344

About N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 51084344) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
• PubChem CID: 51084344
• Molecular Formula: C16H16N2O4
• Molecular Weight: 300.31 g/mol
• Exact Mass: 300.11
• IUPAC Name: N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
• SMILES: COc1ncccc1NC(=O)c1oc2c(c1C)C(=O)CCC2
• InChI: InChI=1S/C16H16N2O4/c1-9-13-11(19)6-3-7-12(13)22-14(9)15(20)18-10-5-4-8-17-16(10)21-2/h4-5,8H,3,6-7H2,1-2H3,(H,18,20)
• InChIKey: CGAXNZXFJVJITG-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 81.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.31
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?

The IUPAC name of N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 51084344) is N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?

The canonical SMILES for N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is COc1ncccc1NC(=O)c1oc2c(c1C)C(=O)CCC2.

What is the InChIKey of N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?

The InChIKey is CGAXNZXFJVJITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-13-11(19)6-3-7-12(13)22-14(9)15(20)18-10-5-4-8-17-16(10)21-2/h4-5,8H,3,6-7H2,1-2H3,(H,18,20).

What are the key properties of N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?

N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-3-pyridinyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51084344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).