ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate

C18H26N2O4Si — CID 168937760

IUPACethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)CNC(=O)c1ncc(C#C[Si](C)(C)C)cc1O
InChIInChI=1S/C18H26N2O4Si/c1-7-24-17(23)18(2,3)12-20-16(22)15-14(21)10-13(11-19-15)8-9-25(4,5)6/h10-11,21H,7,12H2,1-6H3,(H,20,22)
InChIKeyIIAJENIXPYGJNU-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.34
Rot. Bonds5

About ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate

ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate (PubChem CID 168937760) has the molecular formula C18H26N2O4Si and a molecular weight of 362.50 g/mol. Its IUPAC name is ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate
PubChem CID168937760
Molecular FormulaC18H26N2O4Si
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Nameethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)CNC(=O)c1ncc(C#C[Si](C)(C)C)cc1O
InChIInChI=1S/C18H26N2O4Si/c1-7-24-17(23)18(2,3)12-20-16(22)15-14(21)10-13(11-19-15)8-9-25(4,5)6/h10-11,21H,7,12H2,1-6H3,(H,20,22)
InChIKeyIIAJENIXPYGJNU-UHFFFAOYSA-N
XLogP2.34
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

ethyl 2-methyl-2-[4-(2-trimethylsilylethynyl)anilino]propanoate
CID 156809133
3-hydroxy-N-(2-oxobutyl)-5-(3-phenoxyprop-1-ynyl)pyridine-2-carboxamide
CID 158007162
N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide
CID 146522303
3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 168937623
2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 129027316
2-[[5-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027272
5-[3-(4-chlorophenoxy)prop-1-ynyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 129027096
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 104696924
2-[[5-[3-(4-formylphenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 129027280
ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate
CID 155292927
3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 168937715
ethyl 2-[7-fluoro-8-methyl-3-(2-trimethylsilylethynyl)quinolin-6-yl]oxy-2-methylsulfanylacetate
CID 66751658

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate (CID 168937760) is ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)CNC(=O)c1ncc(C#C[Si](C)(C)C)cc1O.
What is the InChIKey of ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate?
The InChIKey is IIAJENIXPYGJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4Si/c1-7-24-17(23)18(2,3)12-20-16(22)15-14(21)10-13(11-19-15)8-9-25(4,5)6/h10-11,21H,7,12H2,1-6H3,(H,20,22).
What are the key properties of ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate?
ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate has a molecular weight of 362.50 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-hydroxy-5-(2-trimethylsilylethynyl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 168937760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).