(2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

C24H28ClN3O2 — CID 42484153

About (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42484153) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 42484153
• Molecular Formula: C24H28ClN3O2
• Molecular Weight: 425.96 g/mol
• Exact Mass: 425.19
• IUPAC Name: (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)CCc1ccccc1Cl)CC2
• InChI: InChI=1S/C24H28ClN3O2/c25-21-7-2-1-5-18(21)8-9-22(29)28-15-11-24(12-16-28)17-20(24)23(30)27-14-10-19-6-3-4-13-26-19/h1-7,13,20H,8-12,14-17H2,(H,27,30)/t20-/m0/s1
• InChIKey: CHLAMCRGFKRTKL-FQEVSTJZSA-N
• XLogP: 3.66
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.96
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 42484153) is (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)CCc1ccccc1Cl)CC2.

What is the InChIKey of (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is CHLAMCRGFKRTKL-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c25-21-7-2-1-5-18(21)8-9-22(29)28-15-11-24(12-16-28)17-20(24)23(30)27-14-10-19-6-3-4-13-26-19/h1-7,13,20H,8-12,14-17H2,(H,27,30)/t20-/m0/s1.

What are the key properties of (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

(2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42484153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).