N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

C22H26F3N3O3 — CID 162379679

IUPACN-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(C)c1ccncc1C(O)CN(CC1COC1)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H26F3N3O3/c1-14(2)17-5-6-26-9-18(17)19(29)11-28(10-16-12-31-13-16)21(30)7-15-3-4-20(27-8-15)22(23,24)25/h3-6,8-9,14,16,19,29H,7,10-13H2,1-2H3
InChIKeyIFBDSOGKGBHVQQ-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.37
Rot. Bonds8

About N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 162379679) has the molecular formula C22H26F3N3O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID162379679
Molecular FormulaC22H26F3N3O3
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC NameN-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(C)c1ccncc1C(O)CN(CC1COC1)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H26F3N3O3/c1-14(2)17-5-6-26-9-18(17)19(29)11-28(10-16-12-31-13-16)21(30)7-15-3-4-20(27-8-15)22(23,24)25/h3-6,8-9,14,16,19,29H,7,10-13H2,1-2H3
InChIKeyIFBDSOGKGBHVQQ-UHFFFAOYSA-N
XLogP3.37
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 162379679) is N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is CC(C)c1ccncc1C(O)CN(CC1COC1)C(=O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is IFBDSOGKGBHVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3/c1-14(2)17-5-6-26-9-18(17)19(29)11-28(10-16-12-31-13-16)21(30)7-15-3-4-20(27-8-15)22(23,24)25/h3-6,8-9,14,16,19,29H,7,10-13H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 437.46 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 162379679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).