N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide

C21H24F3N3O3 — CID 169318889

IUPACN-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N3O3/c1-12(2)19-16(13-5-4-6-14(7-13)21(22,23)24)8-18(29)27(26-19)11-17(28)25-15-9-20(3,30)10-15/h4-8,12,15,30H,9-11H2,1-3H3,(H,25,28)
InChIKeyUZSMTRZHXZCXBX-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.08
Rot. Bonds5

About N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide

N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide (PubChem CID 169318889) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide
PubChem CID169318889
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC NameN-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N3O3/c1-12(2)19-16(13-5-4-6-14(7-13)21(22,23)24)8-18(29)27(26-19)11-17(28)25-15-9-20(3,30)10-15/h4-8,12,15,30H,9-11H2,1-3H3,(H,25,28)
InChIKeyUZSMTRZHXZCXBX-UHFFFAOYSA-N
XLogP3.08
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide?
The IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide (CID 169318889) is N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide is CC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide?
The InChIKey is UZSMTRZHXZCXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-12(2)19-16(13-5-4-6-14(7-13)21(22,23)24)8-18(29)27(26-19)11-17(28)25-15-9-20(3,30)10-15/h4-8,12,15,30H,9-11H2,1-3H3,(H,25,28).
What are the key properties of N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide?
N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide has a molecular weight of 423.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide is sourced from PubChem (CID 169318889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).