N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide

C17H17F3N4O2 — CID 154825953

IUPACN-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide
SMILESCC(=O)N(C)CC1c2ccccc2CN1C1=CN=NC(=O)C1C(F)(F)F
InChIInChI=1S/C17H17F3N4O2/c1-10(25)23(2)9-14-12-6-4-3-5-11(12)8-24(14)13-7-21-22-16(26)15(13)17(18,19)20/h3-7,14-15H,8-9H2,1-2H3
InChIKeyVREFESTYVBREAO-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.03
Rot. Bonds3

About N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide

N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide (PubChem CID 154825953) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide
PubChem CID154825953
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide
SMILESCC(=O)N(C)CC1c2ccccc2CN1C1=CN=NC(=O)C1C(F)(F)F
InChIInChI=1S/C17H17F3N4O2/c1-10(25)23(2)9-14-12-6-4-3-5-11(12)8-24(14)13-7-21-22-16(26)15(13)17(18,19)20/h3-7,14-15H,8-9H2,1-2H3
InChIKeyVREFESTYVBREAO-UHFFFAOYSA-N
XLogP3.03
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide with MolForge

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Related Compounds

US10550105, Example 24
CID 154825692
US10550105, Example 160
CID 154825838
US10550105, Example 169
CID 154825847
US10550105, Example 180
CID 154825858
US10550105, Example 285
CID 154825962
US10550105, Example 322
CID 154825997
US10550105, Example 221
CID 154825898
US10550105, Example 262
CID 154825939
US10550105, Example 264
CID 154825941
US10550105, Example 275
CID 154825952
US10550105, Example 310
CID 154825985
US10550105, Example 330
CID 154826005

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide (CID 154825953) is N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide is CC(=O)N(C)CC1c2ccccc2CN1C1=CN=NC(=O)C1C(F)(F)F.
What is the InChIKey of N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The InChIKey is VREFESTYVBREAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-10(25)23(2)9-14-12-6-4-3-5-11(12)8-24(14)13-7-21-22-16(26)15(13)17(18,19)20/h3-7,14-15H,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide has a molecular weight of 366.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide is sourced from PubChem (CID 154825953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).