[4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate

C16H20F3N3O6 — CID 156654348

IUPAC[4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate
SMILESCNc1ccc(CN2CCOC(OC(=O)C(F)(F)F)C2=O)c(C(OC)OC)n1
InChIInChI=1S/C16H20F3N3O6/c1-20-10-5-4-9(11(21-10)13(25-2)26-3)8-22-6-7-27-14(12(22)23)28-15(24)16(17,18)19/h4-5,13-14H,6-8H2,1-3H3,(H,20,21)
InChIKeyIUDDNUHLZPPFCW-UHFFFAOYSA-N
MW407.35 g/mol
LogP1.21
Rot. Bonds7

About [4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate

[4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 156654348) has the molecular formula C16H20F3N3O6 and a molecular weight of 407.35 g/mol. Its IUPAC name is [4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate
PubChem CID156654348
Molecular FormulaC16H20F3N3O6
Molecular Weight407.35 g/mol
Exact Mass407.13
IUPAC Name[4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate
SMILESCNc1ccc(CN2CCOC(OC(=O)C(F)(F)F)C2=O)c(C(OC)OC)n1
InChIInChI=1S/C16H20F3N3O6/c1-20-10-5-4-9(11(21-10)13(25-2)26-3)8-22-6-7-27-14(12(22)23)28-15(24)16(17,18)19/h4-5,13-14H,6-8H2,1-3H3,(H,20,21)
InChIKeyIUDDNUHLZPPFCW-UHFFFAOYSA-N
XLogP1.21
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

{4-(4,4-difluoro-1-piperidinyl)-6-[(tetrahydro-2H-pyran-2-yloxy)methyl]-2-pyridinyl}carbamic acid tert-butyl ester
CID 66599834
[5-(Difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid
CID 122573630
5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-N-methylpyridin-2-amine
CID 134305017
4-[[2-(Dimethoxymethyl)-6-(methylamino)pyridin-3-yl]methyl]morpholin-3-one;2,2,2-trifluoroacetic acid
CID 138608560
6-(dimethoxymethyl)-N-methyl-5-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetic acid
CID 138608588
1-[[2-(Dimethoxymethyl)-6-(methylamino)pyridin-3-yl]methyl]-4-methylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 138608628
5-(difluoromethyl)-6-(1,3-dioxol-2-yl)-N-methylpyridin-2-amine
CID 141506019
(7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate
CID 142697944
difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 142796644
4-[[5-(Dimethoxymethyl)-1-fluoro-6,8-diazatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-4-yl]methyl]morpholin-3-one
CID 156339412
N-[[2-(dimethoxymethyl)-6-(1-fluorobutan-2-ylamino)-5-methyl-3-pyridinyl]methyl]-2-(dimethylamino)-N-methylacetamide
CID 169567975
3-[[2-(Dimethoxymethyl)-6-(1-fluorobutan-2-ylamino)-5-methyl-3-pyridinyl]methyl]-1,3-oxazepan-2-one
CID 169568015

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate (CID 156654348) is [4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate is CNc1ccc(CN2CCOC(OC(=O)C(F)(F)F)C2=O)c(C(OC)OC)n1.
What is the InChIKey of [4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is IUDDNUHLZPPFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O6/c1-20-10-5-4-9(11(21-10)13(25-2)26-3)8-22-6-7-27-14(12(22)23)28-15(24)16(17,18)19/h4-5,13-14H,6-8H2,1-3H3,(H,20,21).
What are the key properties of [4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate?
[4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 407.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]methyl]-3-oxomorpholin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 156654348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).