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

C19H20F3N3O3 — CID 162379650

IUPACN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N(CC1COC1)C[C@@H](O)c1cccnc1
InChIInChI=1S/C19H20F3N3O3/c20-19(21,22)17-4-3-13(7-24-17)6-18(27)25(9-14-11-28-12-14)10-16(26)15-2-1-5-23-8-15/h1-5,7-8,14,16,26H,6,9-12H2/t16-/m1/s1
InChIKeyZRNDXSZVFPJUDN-MRXNPFEDSA-N
MW395.38 g/mol
LogP2.25
Rot. Bonds7

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

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 162379650) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID162379650
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N(CC1COC1)C[C@@H](O)c1cccnc1
InChIInChI=1S/C19H20F3N3O3/c20-19(21,22)17-4-3-13(7-24-17)6-18(27)25(9-14-11-28-12-14)10-16(26)15-2-1-5-23-8-15/h1-5,7-8,14,16,26H,6,9-12H2/t16-/m1/s1
InChIKeyZRNDXSZVFPJUDN-MRXNPFEDSA-N
XLogP2.25
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 162379650) is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is O=C(Cc1ccc(C(F)(F)F)nc1)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-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is ZRNDXSZVFPJUDN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c20-19(21,22)17-4-3-13(7-24-17)6-18(27)25(9-14-11-28-12-14)10-16(26)15-2-1-5-23-8-15/h1-5,7-8,14,16,26H,6,9-12H2/t16-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 395.38 g/mol, XLogP of 2.25, 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-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 162379650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).