(2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C29H33N3O — CID 42407474

About (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

(2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42407474) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 42407474
• Molecular Formula: C29H33N3O
• Molecular Weight: 439.60 g/mol
• Exact Mass: 439.26
• IUPAC Name: (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CCN(Cc1cccnc1)CC2
• InChI: InChI=1S/C29H33N3O/c33-28(27-20-29(27)14-18-32(19-15-29)22-23-8-7-16-30-21-23)31-17-13-26(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-12,16,21,26-27H,13-15,17-20,22H2,(H,31,33)/t27-/m1/s1
• InChIKey: BQFRFDJMHNSHKM-HHHXNRCGSA-N
• XLogP: 5.02
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.60
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 42407474) is (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CCN(Cc1cccnc1)CC2.

What is the InChIKey of (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is BQFRFDJMHNSHKM-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H33N3O/c33-28(27-20-29(27)14-18-32(19-15-29)22-23-8-7-16-30-21-23)31-17-13-26(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-12,16,21,26-27H,13-15,17-20,22H2,(H,31,33)/t27-/m1/s1.

What are the key properties of (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?

(2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42407474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).