1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide

C20H37N3O4Si — CID 155631125

IUPAC1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC(C)C)n(N)c(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C20H37N3O4Si/c1-9-10-11-26-18-16(24)12-15(13-27-28(7,8)20(4,5)6)23(21)17(18)19(25)22-14(2)3/h12,14H,9-11,13,21H2,1-8H3,(H,22,25)
InChIKeyXGNJMZJYEFYARE-UHFFFAOYSA-N
MW411.62 g/mol
LogP3.40
Rot. Bonds9

About 1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide

1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 155631125) has the molecular formula C20H37N3O4Si and a molecular weight of 411.62 g/mol. Its IUPAC name is 1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide
PubChem CID155631125
Molecular FormulaC20H37N3O4Si
Molecular Weight411.62 g/mol
Exact Mass411.26
IUPAC Name1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC(C)C)n(N)c(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C20H37N3O4Si/c1-9-10-11-26-18-16(24)12-15(13-27-28(7,8)20(4,5)6)23(21)17(18)19(25)22-14(2)3/h12,14H,9-11,13,21H2,1-8H3,(H,22,25)
InChIKeyXGNJMZJYEFYARE-UHFFFAOYSA-N
XLogP3.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide (CID 155631125) is 1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide is CCCCOc1c(C(=O)NC(C)C)n(N)c(CO[Si](C)(C)C(C)(C)C)cc1=O.
What is the InChIKey of 1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is XGNJMZJYEFYARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O4Si/c1-9-10-11-26-18-16(24)12-15(13-27-28(7,8)20(4,5)6)23(21)17(18)19(25)22-14(2)3/h12,14H,9-11,13,21H2,1-8H3,(H,22,25).
What are the key properties of 1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 411.62 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 155631125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).