pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate

C15H26N2O5Si — CID 59228638

IUPACpyridin-2-yl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)Oc1ccccn1)(OCC)OCC
InChIInChI=1S/C15H26N2O5Si/c1-4-19-23(20-5-2,21-6-3)13-9-12-17-15(18)22-14-10-7-8-11-16-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,17,18)
InChIKeyJHIRVBMPKFJLTF-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.61
Rot. Bonds11

About pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate

pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 59228638) has the molecular formula C15H26N2O5Si and a molecular weight of 342.47 g/mol. Its IUPAC name is pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Namepyridin-2-yl N-(3-triethoxysilylpropyl)carbamate
PubChem CID59228638
Molecular FormulaC15H26N2O5Si
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Namepyridin-2-yl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)Oc1ccccn1)(OCC)OCC
InChIInChI=1S/C15H26N2O5Si/c1-4-19-23(20-5-2,21-6-3)13-9-12-17-15(18)22-14-10-7-8-11-16-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,17,18)
InChIKeyJHIRVBMPKFJLTF-UHFFFAOYSA-N
XLogP2.61
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate
CID 102284862
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
CID 175303138
3-triethoxysilylpropyl pyridine-2-carboxylate
CID 68836141
[4-(N-phenylanilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
CID 20771518
1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
CID 91387423
N-[3-[ethoxy(dimethoxy)silyl]propyl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 102181796
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
pyridin-2-yl N-(2-methylphenyl)carbamate
CID 5062913
(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate
CID 90171901
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl N-(3-triethoxysilylpropyl)carbamate
CID 59065485
N-phenyl-4-triethoxysilylbutanamide
CID 150591248

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate (CID 59228638) is pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)Oc1ccccn1)(OCC)OCC.
What is the InChIKey of pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is JHIRVBMPKFJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5Si/c1-4-19-23(20-5-2,21-6-3)13-9-12-17-15(18)22-14-10-7-8-11-16-14/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,17,18).
What are the key properties of pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate?
pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 342.47 g/mol, XLogP of 2.61, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 59228638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).