N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

C21H24F3N3O3 — CID 168923957

About N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 168923957) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
• PubChem CID: 168923957
• Molecular Formula: C21H24F3N3O3
• Molecular Weight: 423.44 g/mol
• Exact Mass: 423.18
• IUPAC Name: N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
• SMILES: O=C(Cc1ccc(C(F)(F)F)nc1)N(CC1CCOCC1)C[C@@H](O)c1cccnc1
• InChI: InChI=1S/C21H24F3N3O3/c22-21(23,24)19-4-3-16(11-26-19)10-20(29)27(13-15-5-8-30-9-6-15)14-18(28)17-2-1-7-25-12-17/h1-4,7,11-12,15,18,28H,5-6,8-10,13-14H2/t18-/m1/s1
• InChIKey: BHVJVCQGMXMIQR-GOSISDBHSA-N
• XLogP: 3.03
• TPSA: 75.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?

The IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 168923957) is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

What is the SMILES notation for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?

The canonical SMILES for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is O=C(Cc1ccc(C(F)(F)F)nc1)N(CC1CCOCC1)C[C@@H](O)c1cccnc1.

What is the InChIKey of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?

The InChIKey is BHVJVCQGMXMIQR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c22-21(23,24)19-4-3-16(11-26-19)10-20(29)27(13-15-5-8-30-9-6-15)14-18(28)17-2-1-7-25-12-17/h1-4,7,11-12,15,18,28H,5-6,8-10,13-14H2/t18-/m1/s1.

What are the key properties of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 423.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxan-4-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 168923957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).