N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide

C19H20F3N3O4 — CID 162379719

About N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide (PubChem CID 162379719) has the molecular formula C19H20F3N3O4 and a molecular weight of 411.38 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide
• PubChem CID: 162379719
• Molecular Formula: C19H20F3N3O4
• Molecular Weight: 411.38 g/mol
• Exact Mass: 411.14
• IUPAC Name: N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide
• SMILES: O=C(Cc1ccc(OC(F)(F)F)cn1)N(CC1COC1)C[C@@H](O)c1cccnc1
• InChI: InChI=1S/C19H20F3N3O4/c20-19(21,22)29-16-4-3-15(24-8-16)6-18(27)25(9-13-11-28-12-13)10-17(26)14-2-1-5-23-7-14/h1-5,7-8,13,17,26H,6,9-12H2/t17-/m1/s1
• InChIKey: AAMACAXZDJMPJU-QGZVFWFLSA-N
• XLogP: 2.13
• TPSA: 84.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.38
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide?

The IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide (CID 162379719) is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide.

What is the SMILES notation for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide?

The canonical SMILES for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cn1)N(CC1COC1)C[C@@H](O)c1cccnc1.

What is the InChIKey of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide?

The InChIKey is AAMACAXZDJMPJU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20F3N3O4/c20-19(21,22)29-16-4-3-15(24-8-16)6-18(27)25(9-13-11-28-12-13)10-17(26)14-2-1-5-23-7-14/h1-5,7-8,13,17,26H,6,9-12H2/t17-/m1/s1.

What are the key properties of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide?

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide has a molecular weight of 411.38 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[5-(trifluoromethoxy)-2-pyridinyl]acetamide is sourced from PubChem (CID 162379719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).