1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide

C21H24F3N3O2 — CID 176930706

IUPAC1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2c(C)cc(OCc3cccc(C(F)(F)F)n3)cc2C)C1
InChIInChI=1S/C21H24F3N3O2/c1-13-7-17(29-12-16-5-4-6-19(26-16)21(22,23)24)8-14(2)18(13)11-27-9-15(10-27)20(28)25-3/h4-8,15H,9-12H2,1-3H3,(H,25,28)
InChIKeyYKJPUBQMORGCID-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.47
Rot. Bonds6

About 1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide

1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide (PubChem CID 176930706) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
PubChem CID176930706
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2c(C)cc(OCc3cccc(C(F)(F)F)n3)cc2C)C1
InChIInChI=1S/C21H24F3N3O2/c1-13-7-17(29-12-16-5-4-6-19(26-16)21(22,23)24)8-14(2)18(13)11-27-9-15(10-27)20(28)25-3/h4-8,15H,9-12H2,1-3H3,(H,25,28)
InChIKeyYKJPUBQMORGCID-UHFFFAOYSA-N
XLogP3.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide with MolForge

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Related Compounds

1-[[4-[(4-cyano-2-pyridinyl)methoxy]-2,6-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930970
1-[[2,6-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930184
1-[[2,6-dimethyl-4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929926
1-[[4-[[5-cyclobutyl-6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930338
1-[[4-[[4-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929943
N-methyl-1-[[5-[[3-(trifluoromethyl)phenyl]methoxy]pyrazin-2-yl]methyl]azetidine-3-carboxamide
CID 176930423
N-methyl-1-[[3-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930885
N-methyl-1-[[4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930457
1-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929966
1-[[4-[[3-(difluoromethoxy)phenyl]methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929848
(3S)-N-methyl-1-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-3-carboxamide
CID 176929976
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266

Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide (CID 176930706) is 1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(Cc2c(C)cc(OCc3cccc(C(F)(F)F)n3)cc2C)C1.
What is the InChIKey of 1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide?
The InChIKey is YKJPUBQMORGCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-13-7-17(29-12-16-5-4-6-19(26-16)21(22,23)24)8-14(2)18(13)11-27-9-15(10-27)20(28)25-3/h4-8,15H,9-12H2,1-3H3,(H,25,28).
What are the key properties of 1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide?
1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,6-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 176930706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).