methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate

C14H20N2O2Si — CID 18953711

IUPACmethyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate
SMILESCOC(=O)CN(C)c1cccc(C#C[Si](C)(C)C)n1
InChIInChI=1S/C14H20N2O2Si/c1-16(11-14(17)18-2)13-8-6-7-12(15-13)9-10-19(3,4)5/h6-8H,11H2,1-5H3
InChIKeyUCECBRNNZHGAFH-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.92
Rot. Bonds3

About methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate

methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate (PubChem CID 18953711) has the molecular formula C14H20N2O2Si and a molecular weight of 276.41 g/mol. Its IUPAC name is methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate
PubChem CID18953711
Molecular FormulaC14H20N2O2Si
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Namemethyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate
SMILESCOC(=O)CN(C)c1cccc(C#C[Si](C)(C)C)n1
InChIInChI=1S/C14H20N2O2Si/c1-16(11-14(17)18-2)13-8-6-7-12(15-13)9-10-19(3,4)5/h6-8H,11H2,1-5H3
InChIKeyUCECBRNNZHGAFH-UHFFFAOYSA-N
XLogP1.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate (CID 18953711) is methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate is COC(=O)CN(C)c1cccc(C#C[Si](C)(C)C)n1.
What is the InChIKey of methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate?
The InChIKey is UCECBRNNZHGAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2Si/c1-16(11-14(17)18-2)13-8-6-7-12(15-13)9-10-19(3,4)5/h6-8H,11H2,1-5H3.
What are the key properties of methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate?
methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate has a molecular weight of 276.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[6-(2-trimethylsilylethynyl)-2-pyridinyl]amino]acetate is sourced from PubChem (CID 18953711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).