methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate

C15H20N2O3Si — CID 89444199

IUPACmethyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(C#C[Si](C)(C)C)cn1
InChIInChI=1S/C15H20N2O3Si/c1-20-15(19)8-7-14(18)17-13-6-5-12(11-16-13)9-10-21(2,3)4/h5-6,11H,7-8H2,1-4H3,(H,16,17,18)
InChIKeyLKYRJNRMQGQFFT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.20
Rot. Bonds4

About methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate

methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate (PubChem CID 89444199) has the molecular formula C15H20N2O3Si and a molecular weight of 304.42 g/mol. Its IUPAC name is methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate
PubChem CID89444199
Molecular FormulaC15H20N2O3Si
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Namemethyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(C#C[Si](C)(C)C)cn1
InChIInChI=1S/C15H20N2O3Si/c1-20-15(19)8-7-14(18)17-13-6-5-12(11-16-13)9-10-21(2,3)4/h5-6,11H,7-8H2,1-4H3,(H,16,17,18)
InChIKeyLKYRJNRMQGQFFT-UHFFFAOYSA-N
XLogP2.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate with MolForge

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Related Compounds

methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide
CID 71548245
ethane;(E)-3-[6-[(4-methoxy-4-oxobutanoyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 144568230
methyl 4-[[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]amino]-4-oxobutanoate
CID 131735591
methyl 4-[[5-[(E)-3-nitroso-3-oxoprop-1-enyl]-2-pyridinyl]amino]-4-oxobutanoate
CID 90061168
methyl 4-[(5-acetylpyrazin-2-yl)amino]-4-oxobutanoate
CID 89443941
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
CID 62353143
methyl 4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoate
CID 110728836
methyl 4-[(5-bromo-4-methoxy-2-pyridinyl)amino]-4-oxobutanoate
CID 89443933
5-chloro-2-[(4-cyanobenzoyl)amino]-3-methoxy-N-[5-(2-trimethylsilylethynyl)-2-pyridinyl]benzamide
CID 142175187

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate?
The IUPAC name of methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate (CID 89444199) is methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate?
The canonical SMILES for methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate is COC(=O)CCC(=O)Nc1ccc(C#C[Si](C)(C)C)cn1.
What is the InChIKey of methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate?
The InChIKey is LKYRJNRMQGQFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3Si/c1-20-15(19)8-7-14(18)17-13-6-5-12(11-16-13)9-10-21(2,3)4/h5-6,11H,7-8H2,1-4H3,(H,16,17,18).
What are the key properties of methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate?
methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate has a molecular weight of 304.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)-2-pyridinyl]amino]butanoate is sourced from PubChem (CID 89444199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).