6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one

C20H29N3O2Si — CID 164753329

IUPAC6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one
SMILESCC1CC=C(c2ccc3c(ccc(=O)n3COCC[Si](C)(C)C)n2)NC1
InChIInChI=1S/C20H29N3O2Si/c1-15-5-6-16(21-13-15)17-7-9-19-18(22-17)8-10-20(24)23(19)14-25-11-12-26(2,3)4/h6-10,15,21H,5,11-14H2,1-4H3
InChIKeyKMJMIHSDGLFWQJ-UHFFFAOYSA-N
MW371.56 g/mol
LogP3.68
Rot. Bonds6

About 6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one

6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one (PubChem CID 164753329) has the molecular formula C20H29N3O2Si and a molecular weight of 371.56 g/mol. Its IUPAC name is 6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one
PubChem CID164753329
Molecular FormulaC20H29N3O2Si
Molecular Weight371.56 g/mol
Exact Mass371.20
IUPAC Name6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one
SMILESCC1CC=C(c2ccc3c(ccc(=O)n3COCC[Si](C)(C)C)n2)NC1
InChIInChI=1S/C20H29N3O2Si/c1-15-5-6-16(21-13-15)17-7-9-19-18(22-17)8-10-20(24)23(19)14-25-11-12-26(2,3)4/h6-10,15,21H,5,11-14H2,1-4H3
InChIKeyKMJMIHSDGLFWQJ-UHFFFAOYSA-N
XLogP3.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.56
LogP ≤ 53.68
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 6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one?
The IUPAC name of 6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one (CID 164753329) is 6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one.
What is the SMILES notation for 6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one?
The canonical SMILES for 6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one is CC1CC=C(c2ccc3c(ccc(=O)n3COCC[Si](C)(C)C)n2)NC1.
What is the InChIKey of 6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one?
The InChIKey is KMJMIHSDGLFWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2Si/c1-15-5-6-16(21-13-15)17-7-9-19-18(22-17)8-10-20(24)23(19)14-25-11-12-26(2,3)4/h6-10,15,21H,5,11-14H2,1-4H3.
What are the key properties of 6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one?
6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one has a molecular weight of 371.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1-(2-trimethylsilylethoxymethyl)-1,5-naphthyridin-2-one is sourced from PubChem (CID 164753329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).