methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate

C34H47N3O7Si — CID 131747132

IUPACmethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)nc(CN(Cc2nc(OC)ccc2OCc2ccccc2)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C34H47N3O7Si/c1-33(2,3)44-32(39)37(21-28-29(16-17-30(36-28)40-7)42-22-24-14-12-11-13-15-24)20-26-18-25(31(38)41-8)19-27(35-26)23-43-45(9,10)34(4,5)6/h11-19H,20-23H2,1-10H3
InChIKeyWUYMUFIBKJZMDG-UHFFFAOYSA-N
MW637.85 g/mol
LogP7.31
Rot. Bonds12

About methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate

methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate (PubChem CID 131747132) has the molecular formula C34H47N3O7Si and a molecular weight of 637.85 g/mol. Its IUPAC name is methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate
PubChem CID131747132
Molecular FormulaC34H47N3O7Si
Molecular Weight637.85 g/mol
Exact Mass637.32
IUPAC Namemethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)nc(CN(Cc2nc(OC)ccc2OCc2ccccc2)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C34H47N3O7Si/c1-33(2,3)44-32(39)37(21-28-29(16-17-30(36-28)40-7)42-22-24-14-12-11-13-15-24)20-26-18-25(31(38)41-8)19-27(35-26)23-43-45(9,10)34(4,5)6/h11-19H,20-23H2,1-10H3
InChIKeyWUYMUFIBKJZMDG-UHFFFAOYSA-N
XLogP7.31
TPSA109.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.85
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate
CID 132503978
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CID 145103744
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
CID 67364544
(2S)-3-[3,4-bis(phenylmethoxy)phenyl]-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 66948606
5-O-tert-butyl 12-O-methyl (4S,6R,7R,8R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-phenylmethoxy-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),10,12-triene-5,12-dicarboxylate
CID 10627077
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
2-(6-methoxy-3-phenylmethoxy-2-pyridinyl)ethanamine
CID 118905530
tert-butyl N-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(2S)-2-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59684355
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-2-carboxylate
CID 178148128
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
CID 58377303

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate (CID 131747132) is methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate is COC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)nc(CN(Cc2nc(OC)ccc2OCc2ccccc2)C(=O)OC(C)(C)C)c1.
What is the InChIKey of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate?
The InChIKey is WUYMUFIBKJZMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47N3O7Si/c1-33(2,3)44-32(39)37(21-28-29(16-17-30(36-28)40-7)42-22-24-14-12-11-13-15-24)20-26-18-25(31(38)41-8)19-27(35-26)23-43-45(9,10)34(4,5)6/h11-19H,20-23H2,1-10H3.
What are the key properties of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate?
methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate has a molecular weight of 637.85 g/mol, XLogP of 7.31, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(6-methoxy-3-phenylmethoxy-2-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylate is sourced from PubChem (CID 131747132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).