6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

C25H31N3O — CID 126463337

About 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126463337) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 126463337
• Molecular Formula: C25H31N3O
• Molecular Weight: 389.54 g/mol
• Exact Mass: 389.25
• IUPAC Name: 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: O=C(NCCCc1ccncc1)C1CC12CCN(C1Cc3ccccc3C1)CC2
• InChI: InChI=1S/C25H31N3O/c29-24(27-11-3-4-19-7-12-26-13-8-19)23-18-25(23)9-14-28(15-10-25)22-16-20-5-1-2-6-21(20)17-22/h1-2,5-8,12-13,22-23H,3-4,9-11,14-18H2,(H,27,29)
• InChIKey: WYTQTEQIAHUQPB-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.54
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126463337) is 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCCc1ccncc1)C1CC12CCN(C1Cc3ccccc3C1)CC2.

What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is WYTQTEQIAHUQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c29-24(27-11-3-4-19-7-12-26-13-8-19)23-18-25(23)9-14-28(15-10-25)22-16-20-5-1-2-6-21(20)17-22/h1-2,5-8,12-13,22-23H,3-4,9-11,14-18H2,(H,27,29).

What are the key properties of 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?

6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126463337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).