N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide

C17H17F3N4O2 — CID 146219689

IUPACN-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide
SMILESCC(=O)N(C)CC1c2ccccc2CN1c1cn[nH]c(=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/h3-7,14H,8-9H2,1-2H3,(H,22,26)
InChIKeyHQKWNYPFHZQWNQ-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.33
Rot. Bonds3

About N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide

N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide (PubChem CID 146219689) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide
PubChem CID146219689
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide
SMILESCC(=O)N(C)CC1c2ccccc2CN1c1cn[nH]c(=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/h3-7,14H,8-9H2,1-2H3,(H,22,26)
InChIKeyHQKWNYPFHZQWNQ-UHFFFAOYSA-N
XLogP2.33
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5-(3-oxo-4-(2-(trifluoromethyl)benzyl)piperazin-1-yl)pyridazin-3(2H)-one
CID 138471783
6-oxo-4-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazine-5-carbonitrile
CID 138471823
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one
CID 138472065
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 138483771
4-Methyl-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138472270
2-[2-(1,3-dihydro-2H-isoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3(2H)-one
CID 72853306
5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 155536492
4-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 168273472
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)-methylamino]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 168279945
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-3-carboxamide
CID 168295945
5-chloro-4-[4-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-1H-pyridazin-6-one
CID 168296450
2-[2-fluoro-6-(trifluoromethyl)benzyl]-5-(4-methyl-1-piperazinyl)-3(2H)-pyridazinone
CID 29217476

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide (CID 146219689) is N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide is CC(=O)N(C)CC1c2ccccc2CN1c1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
The InChIKey is HQKWNYPFHZQWNQ-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/h3-7,14H,8-9H2,1-2H3,(H,22,26).
What are the key properties of N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide?
N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide has a molecular weight of 366.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-1-yl]methyl]acetamide is sourced from PubChem (CID 146219689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).