3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide

C13H22N2O6Si — CID 102217181

IUPAC3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide
SMILESCO[Si](CCCNC(=O)c1ccn(C)c(=O)c1O)(OC)OC
InChIInChI=1S/C13H22N2O6Si/c1-15-8-6-10(11(16)13(15)18)12(17)14-7-5-9-22(19-2,20-3)21-4/h6,8,16H,5,7,9H2,1-4H3,(H,14,17)
InChIKeyWBXQSZIIIYYSGG-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.09
Rot. Bonds8

About 3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide

3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide (PubChem CID 102217181) has the molecular formula C13H22N2O6Si and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide
PubChem CID102217181
Molecular FormulaC13H22N2O6Si
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide
SMILESCO[Si](CCCNC(=O)c1ccn(C)c(=O)c1O)(OC)OC
InChIInChI=1S/C13H22N2O6Si/c1-15-8-6-10(11(16)13(15)18)12(17)14-7-5-9-22(19-2,20-3)21-4/h6,8,16H,5,7,9H2,1-4H3,(H,14,17)
InChIKeyWBXQSZIIIYYSGG-UHFFFAOYSA-N
XLogP0.09
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 121426808
N-[3-(3,4-dichlorophenyl)sulfanylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 90342354
3-hydroxy-1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 90342550
N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 160519867
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 90342641
3-[2-[3-[2-[bis[2-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]propanoic acid
CID 121426828
3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 69382109
N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide
CID 70891250
1-N-[2-[bis(2-aminoethyl)amino]ethyl]-2,3-dihydroxy-4-N,4-N-bis[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethylamino]ethyl]benzene-1,4-dicarboxamide
CID 101422518
6-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]-5-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
CID 69382105
N-[2-[3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl-[2-[(3-hydroxy-1-methyl-2H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 130309341
5-[4-carboxy-3-(3-trimethoxysilylpropylcarbamoyl)phenyl]-2-(3-trimethoxysilylpropylcarbamoyl)benzoic acid
CID 174032167

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide (CID 102217181) is 3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide is CO[Si](CCCNC(=O)c1ccn(C)c(=O)c1O)(OC)OC.
What is the InChIKey of 3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide?
The InChIKey is WBXQSZIIIYYSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6Si/c1-15-8-6-10(11(16)13(15)18)12(17)14-7-5-9-22(19-2,20-3)21-4/h6,8,16H,5,7,9H2,1-4H3,(H,14,17).
What are the key properties of 3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide?
3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 102217181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).