6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide

C37H41N5O2 — CID 123370164

About 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide

6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide (PubChem CID 123370164) has the molecular formula C37H41N5O2 and a molecular weight of 587.77 g/mol. Its IUPAC name is 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
• PubChem CID: 123370164
• Molecular Formula: C37H41N5O2
• Molecular Weight: 587.77 g/mol
• Exact Mass: 587.33
• IUPAC Name: 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
• SMILES: COc1ccc(C(C)NC2CCCC23CCN(c2nc(N=C(c4ccccc4)c4ccccc4)ccc2C(N)=O)CC3)cc1
• InChI: InChI=1S/C37H41N5O2/c1-26(27-15-17-30(44-2)18-16-27)39-32-14-9-21-37(32)22-24-42(25-23-37)36-31(35(38)43)19-20-33(41-36)40-34(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-13,15-20,26,32,39H,9,14,21-25H2,1-2H3,(H2,38,43)
• InChIKey: YNWMGFDYNFQJGO-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 92.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.77
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide (CID 123370164) is 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide is COc1ccc(C(C)NC2CCCC23CCN(c2nc(N=C(c4ccccc4)c4ccccc4)ccc2C(N)=O)CC3)cc1.

What is the InChIKey of 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?

The InChIKey is YNWMGFDYNFQJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N5O2/c1-26(27-15-17-30(44-2)18-16-27)39-32-14-9-21-37(32)22-24-42(25-23-37)36-31(35(38)43)19-20-33(41-36)40-34(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-13,15-20,26,32,39H,9,14,21-25H2,1-2H3,(H2,38,43).

What are the key properties of 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?

6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide has a molecular weight of 587.77 g/mol, XLogP of 6.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 123370164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).