[7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester

C20H33N3O3Si — CID 90011920

IUPAC—
SMILESCC(C)(C)OC(=O)Nc1cnc2c(c1)NCC(C(C)(C)O[Si]C(C)(C)C)C2
InChIInChI=1S/C20H33N3O3Si/c1-18(2,3)25-17(24)23-14-10-16-15(22-12-14)9-13(11-21-16)20(7,8)26-27-19(4,5)6/h10,12-13,21H,9,11H2,1-8H3,(H,23,24)
InChIKeyJBJQGXFQYPLPOJ-UHFFFAOYSA-N
MW391.59 g/mol
LogP4.65
Rot. Bonds4

About [7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester

[7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester (PubChem CID 90011920) has the molecular formula C20H33N3O3Si and a molecular weight of 391.59 g/mol.

Molecular Properties

Compound Name[7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester
PubChem CID90011920
Molecular FormulaC20H33N3O3Si
Molecular Weight391.59 g/mol
Exact Mass391.23
IUPAC Name—
SMILESCC(C)(C)OC(=O)Nc1cnc2c(c1)NCC(C(C)(C)O[Si]C(C)(C)C)C2
InChIInChI=1S/C20H33N3O3Si/c1-18(2,3)25-17(24)23-14-10-16-15(22-12-14)9-13(11-21-16)20(7,8)26-27-19(4,5)6/h10,12-13,21H,9,11H2,1-8H3,(H,23,24)
InChIKeyJBJQGXFQYPLPOJ-UHFFFAOYSA-N
XLogP4.65
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.59
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(3R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]carbamate
CID 131742397
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
tert-butyl N-(6-acetyl-5-chloro-3-pyridinyl)carbamate
CID 140703879
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155894591
3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid
CID 155896659
tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate
CID 123460272
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642
tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate
CID 123540990
tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate
CID 131735483
tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate
CID 123861594

Frequently Asked Questions

What is the IUPAC name of [7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester?
The IUPAC name of [7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester (CID 90011920) is not available.
What is the SMILES notation for [7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester?
The canonical SMILES for [7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester is CC(C)(C)OC(=O)Nc1cnc2c(c1)NCC(C(C)(C)O[Si]C(C)(C)C)C2.
What is the InChIKey of [7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester?
The InChIKey is JBJQGXFQYPLPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3Si/c1-18(2,3)25-17(24)23-14-10-16-15(22-12-14)9-13(11-21-16)20(7,8)26-27-19(4,5)6/h10,12-13,21H,9,11H2,1-8H3,(H,23,24).
What are the key properties of [7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester?
[7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester has a molecular weight of 391.59 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester is sourced from PubChem (CID 90011920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).