4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine

C26H37N3O3Si — CID 140800854

IUPAC4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine
SMILESCOc1nccc(C#C[C@@H]2CN(Cc3ccccc3)C[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c1N
InChIInChI=1S/C26H37N3O3Si/c1-26(2,3)33(5,6)31-19-23-18-29(16-20-10-8-7-9-11-20)17-22(32-23)13-12-21-14-15-28-25(30-4)24(21)27/h7-11,14-15,22-23H,16-19,27H2,1-6H3/t22-,23+/m1/s1
InChIKeyPVKWSTLROJBCPP-PKTZIBPZSA-N
MW467.69 g/mol
LogP4.32
Rot. Bonds6

About 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine

4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine (PubChem CID 140800854) has the molecular formula C26H37N3O3Si and a molecular weight of 467.69 g/mol. Its IUPAC name is 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine
PubChem CID140800854
Molecular FormulaC26H37N3O3Si
Molecular Weight467.69 g/mol
Exact Mass467.26
IUPAC Name4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine
SMILESCOc1nccc(C#C[C@@H]2CN(Cc3ccccc3)C[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c1N
InChIInChI=1S/C26H37N3O3Si/c1-26(2,3)33(5,6)31-19-23-18-29(16-20-10-8-7-9-11-20)17-22(32-23)13-12-21-14-15-28-25(30-4)24(21)27/h7-11,14-15,22-23H,16-19,27H2,1-6H3/t22-,23+/m1/s1
InChIKeyPVKWSTLROJBCPP-PKTZIBPZSA-N
XLogP4.32
TPSA69.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.69
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S,6R)-4-benzyl-6-[2-(6-phenylmethoxy-2-pyridinyl)ethynyl]morpholin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 140800831
[(2S,6S)-4-benzyl-6-[(2-nitrophenoxy)methyl]morpholin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 140800838
(6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile
CID 130274489
tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
CID 69177639
[(3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
CID 68917211
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
CID 123771378
(1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 10980405
[(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 12030475
[(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
CID 68909864
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
methyl 1-benzyl-4-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolidine-3-carboxylate
CID 69172773
[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
CID 131749610

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine?
The IUPAC name of 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine (CID 140800854) is 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine.
What is the SMILES notation for 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine?
The canonical SMILES for 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine is COc1nccc(C#C[C@@H]2CN(Cc3ccccc3)C[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c1N.
What is the InChIKey of 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine?
The InChIKey is PVKWSTLROJBCPP-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H37N3O3Si/c1-26(2,3)33(5,6)31-19-23-18-29(16-20-10-8-7-9-11-20)17-22(32-23)13-12-21-14-15-28-25(30-4)24(21)27/h7-11,14-15,22-23H,16-19,27H2,1-6H3/t22-,23+/m1/s1.
What are the key properties of 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine?
4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine has a molecular weight of 467.69 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine is sourced from PubChem (CID 140800854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).