N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide

C21H24N2O4 — CID 91797125

About N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 91797125) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
• PubChem CID: 91797125
• Molecular Formula: C21H24N2O4
• Molecular Weight: 368.43 g/mol
• Exact Mass: 368.17
• IUPAC Name: N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
• SMILES: CCc1cc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)cc(=O)[nH]1
• InChI: InChI=1S/C21H24N2O4/c1-2-16-8-15(11-19(25)22-16)21(26)23-20(14-9-17(24)10-14)13-3-4-18-12(7-13)5-6-27-18/h3-4,7-8,11,14,17,20,24H,2,5-6,9-10H2,1H3,(H,22,25)(H,23,26)
• InChIKey: QJPQKQGWYGVINL-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 91.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.43
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?

The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide (CID 91797125) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide.

What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?

The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide is CCc1cc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)cc(=O)[nH]1.

What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?

The InChIKey is QJPQKQGWYGVINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-16-8-15(11-19(25)22-16)21(26)23-20(14-9-17(24)10-14)13-3-4-18-12(7-13)5-6-27-18/h3-4,7-8,11,14,17,20,24H,2,5-6,9-10H2,1H3,(H,22,25)(H,23,26).

What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 91797125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).