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

C20H36N2O4Si — CID 155631123

IUPAC3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC(C)C)[nH]c(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C20H36N2O4Si/c1-9-10-11-25-18-16(23)12-15(13-26-27(7,8)20(4,5)6)22-17(18)19(24)21-14(2)3/h12,14H,9-11,13H2,1-8H3,(H,21,24)(H,22,23)
InChIKeyQLIIONXCDBKBGW-UHFFFAOYSA-N
MW396.60 g/mol
LogP4.21
Rot. Bonds9

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

3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide (PubChem CID 155631123) has the molecular formula C20H36N2O4Si and a molecular weight of 396.60 g/mol. Its IUPAC name is 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
PubChem CID155631123
Molecular FormulaC20H36N2O4Si
Molecular Weight396.60 g/mol
Exact Mass396.24
IUPAC Name3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC(C)C)[nH]c(CO[Si](C)(C)C(C)(C)C)cc1=O
InChIInChI=1S/C20H36N2O4Si/c1-9-10-11-25-18-16(23)12-15(13-26-27(7,8)20(4,5)6)22-17(18)19(24)21-14(2)3/h12,14H,9-11,13H2,1-8H3,(H,21,24)(H,22,23)
InChIKeyQLIIONXCDBKBGW-UHFFFAOYSA-N
XLogP4.21
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyridine-2-carboxamide
CID 155631125
3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-ylpyran-2-carboxamide
CID 155631127
N-ethyl-3-methoxy-6-(4-methyl-2-triethylsilyloxypent-4-en-2-yl)-4-oxo-1H-pyridine-2-carboxamide
CID 173937034
6-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepentyl]-3-methoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 173937035

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The IUPAC name of 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide (CID 155631123) is 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide.
What is the SMILES notation for 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The canonical SMILES for 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide is CCCCOc1c(C(=O)NC(C)C)[nH]c(CO[Si](C)(C)C(C)(C)C)cc1=O.
What is the InChIKey of 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The InChIKey is QLIIONXCDBKBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4Si/c1-9-10-11-25-18-16(23)12-15(13-26-27(7,8)20(4,5)6)22-17(18)19(24)21-14(2)3/h12,14H,9-11,13H2,1-8H3,(H,21,24)(H,22,23).
What are the key properties of 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide has a molecular weight of 396.60 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 155631123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).