(2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide

C23H24F3N3O2 — CID 42438455

About (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42438455) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 42438455
• Molecular Formula: C23H24F3N3O2
• Molecular Weight: 431.46 g/mol
• Exact Mass: 431.18
• IUPAC Name: (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)n1
• InChI: InChI=1S/C23H24F3N3O2/c1-15-3-2-4-18(28-15)14-27-20(30)19-13-22(19)9-11-29(12-10-22)21(31)16-5-7-17(8-6-16)23(24,25)26/h2-8,19H,9-14H2,1H3,(H,27,30)/t19-/m0/s1
• InChIKey: KKNGPXVODQZKTP-IBGZPJMESA-N
• XLogP: 3.97
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.46
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 42438455) is (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)n1.

What is the InChIKey of (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is KKNGPXVODQZKTP-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-15-3-2-4-18(28-15)14-27-20(30)19-13-22(19)9-11-29(12-10-22)21(31)16-5-7-17(8-6-16)23(24,25)26/h2-8,19H,9-14H2,1H3,(H,27,30)/t19-/m0/s1.

What are the key properties of (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide?

(2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42438455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).