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

C20H22F3N3O3 — CID 162379668

IUPACN-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCc1ccncc1C(O)CN(CC1COC1)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H22F3N3O3/c1-13-4-5-24-8-16(13)17(27)10-26(9-15-11-29-12-15)19(28)6-14-2-3-18(25-7-14)20(21,22)23/h2-5,7-8,15,17,27H,6,9-12H2,1H3
InChIKeyZQLUSVSMAJBRDG-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.55
Rot. Bonds7

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

N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 162379668) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID162379668
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCc1ccncc1C(O)CN(CC1COC1)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H22F3N3O3/c1-13-4-5-24-8-16(13)17(27)10-26(9-15-11-29-12-15)19(28)6-14-2-3-18(25-7-14)20(21,22)23/h2-5,7-8,15,17,27H,6,9-12H2,1H3
InChIKeyZQLUSVSMAJBRDG-UHFFFAOYSA-N
XLogP2.55
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.55
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-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 162379668) is N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is Cc1ccncc1C(O)CN(CC1COC1)C(=O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is ZQLUSVSMAJBRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-13-4-5-24-8-16(13)17(27)10-26(9-15-11-29-12-15)19(28)6-14-2-3-18(25-7-14)20(21,22)23/h2-5,7-8,15,17,27H,6,9-12H2,1H3.
What are the key properties of N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 409.41 g/mol, XLogP of 2.55, 7 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-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 162379668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).