ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate

C16H28N2O3Si — CID 131747122

IUPACethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(CN)nc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H28N2O3Si/c1-7-20-15(19)12-8-13(10-17)18-14(9-12)11-21-22(5,6)16(2,3)4/h8-9H,7,10-11,17H2,1-6H3
InChIKeyHOGWOIKGCDQWKN-UHFFFAOYSA-N
MW324.50 g/mol
LogP3.24
Rot. Bonds6

About ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate

ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate (PubChem CID 131747122) has the molecular formula C16H28N2O3Si and a molecular weight of 324.50 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate
PubChem CID131747122
Molecular FormulaC16H28N2O3Si
Molecular Weight324.50 g/mol
Exact Mass324.19
IUPAC Nameethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(CN)nc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H28N2O3Si/c1-7-20-15(19)12-8-13(10-17)18-14(9-12)11-21-22(5,6)16(2,3)4/h8-9H,7,10-11,17H2,1-6H3
InChIKeyHOGWOIKGCDQWKN-UHFFFAOYSA-N
XLogP3.24
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 24807327
3,5-bis[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]benzoic acid
CID 174048850
ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate
CID 58105215
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-6-methoxypyridine-3-carboxylate
CID 178178667
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
CID 151293297
ethyl 3,5-bis(aminomethyl)benzoate
CID 174906778
ethyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-methyltriazole-4-carboxylate
CID 167438832
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-propan-2-yl-1,3-thiazole-5-carboxylate
CID 163219344
ethyl 3-amino-5-tert-butylbenzoate
CID 66733097
ethyl 2-(fluoromethyl)pyridine-4-carboxylate
CID 75530092
ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate
CID 135008103

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate (CID 131747122) is ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate is CCOC(=O)c1cc(CN)nc(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate?
The InChIKey is HOGWOIKGCDQWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3Si/c1-7-20-15(19)12-8-13(10-17)18-14(9-12)11-21-22(5,6)16(2,3)4/h8-9H,7,10-11,17H2,1-6H3.
What are the key properties of ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate?
ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate has a molecular weight of 324.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate is sourced from PubChem (CID 131747122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).