N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide

C26H26N6O5 — CID 58553933

About N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide

N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide (PubChem CID 58553933) has the molecular formula C26H26N6O5 and a molecular weight of 502.53 g/mol. Its IUPAC name is N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide
• PubChem CID: 58553933
• Molecular Formula: C26H26N6O5
• Molecular Weight: 502.53 g/mol
• Exact Mass: 502.20
• IUPAC Name: N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide
• SMILES: CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN3C(=O)C4(CCOCC4)N=C3c3ccccn3)cc1C2
• InChI: InChI=1S/C26H26N6O5/c1-31-24(36)29-22(34)26(31)13-16-5-6-18(12-17(16)14-26)28-20(33)15-32-21(19-4-2-3-9-27-19)30-25(23(32)35)7-10-37-11-8-25/h2-6,9,12H,7-8,10-11,13-15H2,1H3,(H,28,33)(H,29,34,36)/t26-/m0/s1
• InChIKey: MNRDCPBDICZNGW-SANMLTNESA-N
• XLogP: 0.88
• TPSA: 133.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.53
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide?

The IUPAC name of N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide (CID 58553933) is N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide.

What is the SMILES notation for N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide?

The canonical SMILES for N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide is CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN3C(=O)C4(CCOCC4)N=C3c3ccccn3)cc1C2.

What is the InChIKey of N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide?

The InChIKey is MNRDCPBDICZNGW-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N6O5/c1-31-24(36)29-22(34)26(31)13-16-5-6-18(12-17(16)14-26)28-20(33)15-32-21(19-4-2-3-9-27-19)30-25(23(32)35)7-10-37-11-8-25/h2-6,9,12H,7-8,10-11,13-15H2,1H3,(H,28,33)(H,29,34,36)/t26-/m0/s1.

What are the key properties of N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide?

N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide has a molecular weight of 502.53 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(4-oxo-2-pyridin-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)acetamide is sourced from PubChem (CID 58553933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).