6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C22H23ClFN3O2 — CID 126464018

About 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126464018) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 126464018
• Molecular Formula: C22H23ClFN3O2
• Molecular Weight: 415.90 g/mol
• Exact Mass: 415.15
• IUPAC Name: 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: Cc1cccc(CNC(=O)C2CC23CCN(C(=O)c2c(F)cccc2Cl)CC3)n1
• InChI: InChI=1S/C22H23ClFN3O2/c1-14-4-2-5-15(26-14)13-25-20(28)16-12-22(16)8-10-27(11-9-22)21(29)19-17(23)6-3-7-18(19)24/h2-7,16H,8-13H2,1H3,(H,25,28)
• InChIKey: NCXBCSNOZOZFGV-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.90
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 126464018) is 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1cccc(CNC(=O)C2CC23CCN(C(=O)c2c(F)cccc2Cl)CC3)n1.

What is the InChIKey of 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is NCXBCSNOZOZFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O2/c1-14-4-2-5-15(26-14)13-25-20(28)16-12-22(16)8-10-27(11-9-22)21(29)19-17(23)6-3-7-18(19)24/h2-7,16H,8-13H2,1H3,(H,25,28).

What are the key properties of 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-6-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126464018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).