methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate

C21H34N2O4Si — CID 135053350

IUPACmethyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ncccc2CO[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C21H34N2O4Si/c1-20(2,3)28(5,6)27-15-16-11-10-14-22-17(16)18(24)23-21(19(25)26-4)12-8-7-9-13-21/h10-11,14H,7-9,12-13,15H2,1-6H3,(H,23,24)
InChIKeyGTJZBCLVRFBFOC-UHFFFAOYSA-N
MW406.60 g/mol
LogP4.21
Rot. Bonds6

About methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate

methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 135053350) has the molecular formula C21H34N2O4Si and a molecular weight of 406.60 g/mol. Its IUPAC name is methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID135053350
Molecular FormulaC21H34N2O4Si
Molecular Weight406.60 g/mol
Exact Mass406.23
IUPAC Namemethyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ncccc2CO[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C21H34N2O4Si/c1-20(2,3)28(5,6)27-15-16-11-10-14-22-17(16)18(24)23-21(19(25)26-4)12-8-7-9-13-21/h10-11,14H,7-9,12-13,15H2,1-6H3,(H,23,24)
InChIKeyGTJZBCLVRFBFOC-UHFFFAOYSA-N
XLogP4.21
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate (CID 135053350) is methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2ncccc2CO[Si](C)(C)C(C)(C)C)CCCCC1.
What is the InChIKey of methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is GTJZBCLVRFBFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4Si/c1-20(2,3)28(5,6)27-15-16-11-10-14-22-17(16)18(24)23-21(19(25)26-4)12-8-7-9-13-21/h10-11,14H,7-9,12-13,15H2,1-6H3,(H,23,24).
What are the key properties of methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 406.60 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 135053350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).