N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

C18H19F3N4O2 — CID 162379754

IUPACN-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N(CC(O)c1cccnn1)C1CCC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)16-7-6-12(10-22-16)9-17(27)25(13-3-1-4-13)11-15(26)14-5-2-8-23-24-14/h2,5-8,10,13,15,26H,1,3-4,9,11H2
InChIKeyNPBLXHKALHRZQU-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.55
Rot. Bonds6

About N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 162379754) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID162379754
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N(CC(O)c1cccnn1)C1CCC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)16-7-6-12(10-22-16)9-17(27)25(13-3-1-4-13)11-15(26)14-5-2-8-23-24-14/h2,5-8,10,13,15,26H,1,3-4,9,11H2
InChIKeyNPBLXHKALHRZQU-UHFFFAOYSA-N
XLogP2.55
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-N-(2-hydroxy-2-pyrazin-2-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379647
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379650
Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)Ethyl]-N-Propyl-2-[6-(Trifluoromethyl)-3-Pyridyl]Acetamide
CID 162379661
N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379668
N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379679
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 162379695
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379713
N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379727
N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379775
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379778
Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)ethyl]-N-Propyl-2-[6-(Trifluoromethyl)Pyridazin-3-yl]Acetamide
CID 162379788
tert-butyl N-[3-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]propyl]carbamate
CID 162379793

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 162379754) is N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is O=C(Cc1ccc(C(F)(F)F)nc1)N(CC(O)c1cccnn1)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is NPBLXHKALHRZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)16-7-6-12(10-22-16)9-17(27)25(13-3-1-4-13)11-15(26)14-5-2-8-23-24-14/h2,5-8,10,13,15,26H,1,3-4,9,11H2.
What are the key properties of N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 380.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxy-2-pyridazin-3-ylethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 162379754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).