3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one

C16H20N2OSi — CID 172553428

IUPAC3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one
SMILESCC(C)(C)[Si](C)(C)C#Cc1cc2ncccc2[nH]c1=O
InChIInChI=1S/C16H20N2OSi/c1-16(2,3)20(4,5)10-8-12-11-14-13(18-15(12)19)7-6-9-17-14/h6-7,9,11H,1-5H3,(H,18,19)
InChIKeyZBVHPOGLIVMHAV-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.32
Rot. Bonds

About 3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one

3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one (PubChem CID 172553428) has the molecular formula C16H20N2OSi and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one
PubChem CID172553428
Molecular FormulaC16H20N2OSi
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one
SMILESCC(C)(C)[Si](C)(C)C#Cc1cc2ncccc2[nH]c1=O
InChIInChI=1S/C16H20N2OSi/c1-16(2,3)20(4,5)10-8-12-11-14-13(18-15(12)19)7-6-9-17-14/h6-7,9,11H,1-5H3,(H,18,19)
InChIKeyZBVHPOGLIVMHAV-UHFFFAOYSA-N
XLogP3.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176580356
3-phenyl-1H-1,5-naphthyridin-2-one
CID 12992200
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
CID 87453078
CID 87453078
N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 141129422
1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid
CID 172829313
2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 84676205
N-hydroxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 87356821
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 170754494
1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione
CID 10375912
trimethyl(2-quinolin-7-ylethynyl)silane
CID 18931459

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one (CID 172553428) is 3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one is CC(C)(C)[Si](C)(C)C#Cc1cc2ncccc2[nH]c1=O.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is ZBVHPOGLIVMHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OSi/c1-16(2,3)20(4,5)10-8-12-11-14-13(18-15(12)19)7-6-9-17-14/h6-7,9,11H,1-5H3,(H,18,19).
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one?
3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 284.43 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 172553428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).