N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C18H25N3O3Si — CID 178122976

IUPACN-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESC[Si](C)(C)CCOCn1ccc2cc(NC(=O)C3CC3)ncc2c1=O
InChIInChI=1S/C18H25N3O3Si/c1-25(2,3)9-8-24-12-21-7-6-14-10-16(19-11-15(14)18(21)23)20-17(22)13-4-5-13/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,19,20,22)
InChIKeyIDHCEWGWUWAEEZ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.06
Rot. Bonds7

About N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 178122976) has the molecular formula C18H25N3O3Si and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID178122976
Molecular FormulaC18H25N3O3Si
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESC[Si](C)(C)CCOCn1ccc2cc(NC(=O)C3CC3)ncc2c1=O
InChIInChI=1S/C18H25N3O3Si/c1-25(2,3)9-8-24-12-21-7-6-14-10-16(19-11-15(14)18(21)23)20-17(22)13-4-5-13/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,19,20,22)
InChIKeyIDHCEWGWUWAEEZ-UHFFFAOYSA-N
XLogP3.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 178122976) is N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is C[Si](C)(C)CCOCn1ccc2cc(NC(=O)C3CC3)ncc2c1=O.
What is the InChIKey of N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is IDHCEWGWUWAEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3Si/c1-25(2,3)9-8-24-12-21-7-6-14-10-16(19-11-15(14)18(21)23)20-17(22)13-4-5-13/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,19,20,22).
What are the key properties of N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178122976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).