N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide

C22H23N3O5 — CID 140764912

About N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide

N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide (PubChem CID 140764912) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide.

Molecular Properties

• Compound Name: N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide
• PubChem CID: 140764912
• Molecular Formula: C22H23N3O5
• Molecular Weight: 409.44 g/mol
• Exact Mass: 409.16
• IUPAC Name: N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide
• SMILES: CN1C(=O)C(NC(=O)c2cc3c(cn2)COC32CCOCC2)COc2ccccc21
• InChI: InChI=1S/C22H23N3O5/c1-25-18-4-2-3-5-19(18)29-13-17(21(25)27)24-20(26)16-10-15-14(11-23-16)12-30-22(15)6-8-28-9-7-22/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,24,26)
• InChIKey: NXPIZJXWJTYRSE-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 89.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.44
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide?

The IUPAC name of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide (CID 140764912) is N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide.

What is the SMILES notation for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide?

The canonical SMILES for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide is CN1C(=O)C(NC(=O)c2cc3c(cn2)COC32CCOCC2)COc2ccccc21.

What is the InChIKey of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide?

The InChIKey is NXPIZJXWJTYRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-25-18-4-2-3-5-19(18)29-13-17(21(25)27)24-20(26)16-10-15-14(11-23-16)12-30-22(15)6-8-28-9-7-22/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,24,26).

What are the key properties of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide?

N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide is sourced from PubChem (CID 140764912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).