N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide

C17H18N2O4 — CID 71803428

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 71803428) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 71803428
• Molecular Formula: C17H18N2O4
• Molecular Weight: 314.34 g/mol
• Exact Mass: 314.13
• IUPAC Name: N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide
• SMILES: Cn1cccc(C(=O)NCC(O)c2ccc3c(c2)CCO3)c1=O
• InChI: InChI=1S/C17H18N2O4/c1-19-7-2-3-13(17(19)22)16(21)18-10-14(20)11-4-5-15-12(9-11)6-8-23-15/h2-5,7,9,14,20H,6,8,10H2,1H3,(H,18,21)
• InChIKey: ZKNNNZWLCXWSMM-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 80.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.34
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 71803428) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCC(O)c2ccc3c(c2)CCO3)c1=O.

What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is ZKNNNZWLCXWSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-19-7-2-3-13(17(19)22)16(21)18-10-14(20)11-4-5-15-12(9-11)6-8-23-15/h2-5,7,9,14,20H,6,8,10H2,1H3,(H,18,21).

What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide?

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71803428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).