2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate

C17H20F3N2O7- — CID 154080431

IUPAC2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOc1cc(C(C(=O)[O-])N(CC(=O)OC(C)(C)C)C(=O)C(F)(F)F)cc(OC)n1
InChIInChI=1S/C17H21F3N2O7/c1-16(2,3)29-12(23)8-22(15(26)17(18,19)20)13(14(24)25)9-6-10(27-4)21-11(7-9)28-5/h6-7,13H,8H2,1-5H3,(H,24,25)/p-1
InChIKeyFYEIWBDUIBJGAC-UHFFFAOYSA-M
MW421.35 g/mol
LogP0.62
Rot. Bonds7

About 2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate

2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 154080431) has the molecular formula C17H20F3N2O7- and a molecular weight of 421.35 g/mol. Its IUPAC name is 2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Name2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID154080431
Molecular FormulaC17H20F3N2O7-
Molecular Weight421.35 g/mol
Exact Mass421.12
IUPAC Name2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOc1cc(C(C(=O)[O-])N(CC(=O)OC(C)(C)C)C(=O)C(F)(F)F)cc(OC)n1
InChIInChI=1S/C17H21F3N2O7/c1-16(2,3)29-12(23)8-22(15(26)17(18,19)20)13(14(24)25)9-6-10(27-4)21-11(7-9)28-5/h6-7,13H,8H2,1-5H3,(H,24,25)/p-1
InChIKeyFYEIWBDUIBJGAC-UHFFFAOYSA-M
XLogP0.62
TPSA118.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate with MolForge

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Related Compounds

tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 133060482
tert-butyl 2-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 166159837
(2R)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 10495701
ethane;methyl 3-(3,5-dibromophenyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-1-en-2-ylamino]propanoate
CID 145450681
methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 23091390
tert-butyl 2-[2,6-difluoro-4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetate
CID 146885124
4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 159878985
tert-butyl 2-[1-methyl-3-(trifluoromethoxy)pyrazol-5-yl]acetate
CID 167684697
tert-butyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanylphenyl]methylideneamino]oxyacetate
CID 5044067
tert-butyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]carbamate
CID 114518194
tert-butyl 2-(3-amino-2,6-dichloro-4-pyridinyl)acetate
CID 149020949
tert-butyl 2-[[6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 91140036

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of 2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate (CID 154080431) is 2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for 2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for 2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate is COc1cc(C(C(=O)[O-])N(CC(=O)OC(C)(C)C)C(=O)C(F)(F)F)cc(OC)n1.
What is the InChIKey of 2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is FYEIWBDUIBJGAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H21F3N2O7/c1-16(2,3)29-12(23)8-22(15(26)17(18,19)20)13(14(24)25)9-6-10(27-4)21-11(7-9)28-5/h6-7,13H,8H2,1-5H3,(H,24,25)/p-1.
What are the key properties of 2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate?
2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 421.35 g/mol, XLogP of 0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxy-4-pyridinyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 154080431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).