2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide

C29H33N3O2 — CID 166633190

IUPAC2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCC4(CC3)CC4)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C29H33N3O2/c33-28(31-21-23-4-2-1-3-5-23)20-26-9-6-25(22-30-26)24-7-10-27(11-8-24)34-19-18-32-16-14-29(12-13-29)15-17-32/h1-11,22H,12-21H2,(H,31,33)
InChIKeyKGYCBAVWNOHMAR-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.86
Rot. Bonds9

About 2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide

2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide (PubChem CID 166633190) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide
PubChem CID166633190
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCC4(CC3)CC4)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C29H33N3O2/c33-28(31-21-23-4-2-1-3-5-23)20-26-9-6-25(22-30-26)24-7-10-27(11-8-24)34-19-18-32-16-14-29(12-13-29)15-17-32/h1-11,22H,12-21H2,(H,31,33)
InChIKeyKGYCBAVWNOHMAR-UHFFFAOYSA-N
XLogP4.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide?
The IUPAC name of 2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide (CID 166633190) is 2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide.
What is the SMILES notation for 2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide?
The canonical SMILES for 2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide is O=C(Cc1ccc(-c2ccc(OCCN3CCC4(CC3)CC4)cc2)cn1)NCc1ccccc1.
What is the InChIKey of 2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide?
The InChIKey is KGYCBAVWNOHMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c33-28(31-21-23-4-2-1-3-5-23)20-26-9-6-25(22-30-26)24-7-10-27(11-8-24)34-19-18-32-16-14-29(12-13-29)15-17-32/h1-11,22H,12-21H2,(H,31,33).
What are the key properties of 2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide?
2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide has a molecular weight of 455.60 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide is sourced from PubChem (CID 166633190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).