N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine

C24H25F3N4O — CID 124988807

About N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine

N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine (PubChem CID 124988807) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine
• PubChem CID: 124988807
• Molecular Formula: C24H25F3N4O
• Molecular Weight: 442.49 g/mol
• Exact Mass: 442.20
• IUPAC Name: N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine
• SMILES: CNc1ncccc1CN1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1
• InChI: InChI=1S/C24H25F3N4O/c1-28-23-19(5-3-9-29-23)15-31-10-11-32-22(16-31)21-8-7-18(14-30-21)12-17-4-2-6-20(13-17)24(25,26)27/h2-9,13-14,22H,10-12,15-16H2,1H3,(H,28,29)/t22-/m1/s1
• InChIKey: OPOKKPAIWNYYPJ-JOCHJYFZSA-N
• XLogP: 4.70
• TPSA: 50.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.49
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine?

The IUPAC name of N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine (CID 124988807) is N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine.

What is the SMILES notation for N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine?

The canonical SMILES for N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine is CNc1ncccc1CN1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1.

What is the InChIKey of N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine?

The InChIKey is OPOKKPAIWNYYPJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-28-23-19(5-3-9-29-23)15-31-10-11-32-22(16-31)21-8-7-18(14-30-21)12-17-4-2-6-20(13-17)24(25,26)27/h2-9,13-14,22H,10-12,15-16H2,1H3,(H,28,29)/t22-/m1/s1.

What are the key properties of N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine?

N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine has a molecular weight of 442.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 124988807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).