(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide

C16H30N2O3Si — CID 101223532

IUPAC(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide
SMILESCCNC(=O)C1=CC[C@H](CO[Si](C)(C)C(C)(C)C)N(C)C1=O
InChIInChI=1S/C16H30N2O3Si/c1-8-17-14(19)13-10-9-12(18(5)15(13)20)11-21-22(6,7)16(2,3)4/h10,12H,8-9,11H2,1-7H3,(H,17,19)/t12-/m1/s1
InChIKeyDZUWLOFBUAYCIT-GFCCVEGCSA-N
MW326.51 g/mol
LogP2.30
Rot. Bonds5

About (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide

(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide (PubChem CID 101223532) has the molecular formula C16H30N2O3Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide
PubChem CID101223532
Molecular FormulaC16H30N2O3Si
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Name(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide
SMILESCCNC(=O)C1=CC[C@H](CO[Si](C)(C)C(C)(C)C)N(C)C1=O
InChIInChI=1S/C16H30N2O3Si/c1-8-17-14(19)13-10-9-12(18(5)15(13)20)11-21-22(6,7)16(2,3)4/h10,12H,8-9,11H2,1-7H3,(H,17,19)/t12-/m1/s1
InChIKeyDZUWLOFBUAYCIT-GFCCVEGCSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone
CID 58782054
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91568304
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 10852705
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 69348864
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one
CID 101180860
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,5-dihydropyridin-6-one
CID 11357288
S-[2-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]ethyl] ethanethioate
CID 56834438
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 87828403
(3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 66669442
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(113C)methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 10947872
(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-propan-2-yl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 10783302
ethyl (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 10521786

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide?
The IUPAC name of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide (CID 101223532) is (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide.
What is the SMILES notation for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide?
The canonical SMILES for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide is CCNC(=O)C1=CC[C@H](CO[Si](C)(C)C(C)(C)C)N(C)C1=O.
What is the InChIKey of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide?
The InChIKey is DZUWLOFBUAYCIT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H30N2O3Si/c1-8-17-14(19)13-10-9-12(18(5)15(13)20)11-21-22(6,7)16(2,3)4/h10,12H,8-9,11H2,1-7H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide?
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide has a molecular weight of 326.51 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-ethyl-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxamide is sourced from PubChem (CID 101223532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).