N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide

C23H25F3N4O2 — CID 58653450

About N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide

N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide (PubChem CID 58653450) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide
• PubChem CID: 58653450
• Molecular Formula: C23H25F3N4O2
• Molecular Weight: 446.47 g/mol
• Exact Mass: 446.19
• IUPAC Name: N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(N2CC[C@@]3(CCCN(c4ccc(C(F)(F)F)cn4)C3)C2=O)c(C)c1
• InChI: InChI=1S/C23H25F3N4O2/c1-15-12-18(28-16(2)31)5-6-19(15)30-11-9-22(21(30)32)8-3-10-29(14-22)20-7-4-17(13-27-20)23(24,25)26/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,28,31)/t22-/m1/s1
• InChIKey: SCLUEHWEZDCTBJ-JOCHJYFZSA-N
• XLogP: 4.39
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.47
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide?

The IUPAC name of N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide (CID 58653450) is N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide?

The canonical SMILES for N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2CC[C@@]3(CCCN(c4ccc(C(F)(F)F)cn4)C3)C2=O)c(C)c1.

What is the InChIKey of N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide?

The InChIKey is SCLUEHWEZDCTBJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c1-15-12-18(28-16(2)31)5-6-19(15)30-11-9-22(21(30)32)8-3-10-29(14-22)20-7-4-17(13-27-20)23(24,25)26/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,28,31)/t22-/m1/s1.

What are the key properties of N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide?

N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide has a molecular weight of 446.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]phenyl]acetamide is sourced from PubChem (CID 58653450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).