tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate

C24H44N2O4Sn — CID 10437362

IUPACtert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(OC)nc(OC)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H17N2O4.3C4H9.Sn/c1-12(2,3)18-11(15)13-8-6-7-9(16-4)14-10(8)17-5;3*1-3-4-2;/h7H,1-5H3,(H,13,15);3*1,3-4H2,2H3;
InChIKeyRAGHWMNXVCDSPB-UHFFFAOYSA-N
MW543.34 g/mol
LogP6.50
Rot. Bonds13

About tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate

tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate (PubChem CID 10437362) has the molecular formula C24H44N2O4Sn and a molecular weight of 543.34 g/mol. Its IUPAC name is tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate
PubChem CID10437362
Molecular FormulaC24H44N2O4Sn
Molecular Weight543.34 g/mol
Exact Mass544.23
IUPAC Nametert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(OC)nc(OC)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H17N2O4.3C4H9.Sn/c1-12(2,3)18-11(15)13-8-6-7-9(16-4)14-10(8)17-5;3*1-3-4-2;/h7H,1-5H3,(H,13,15);3*1,3-4H2,2H3;
InChIKeyRAGHWMNXVCDSPB-UHFFFAOYSA-N
XLogP6.50
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.34
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate (CID 10437362) is tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate is CCCC[Sn](CCCC)(CCCC)c1cc(OC)nc(OC)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate?
The InChIKey is RAGHWMNXVCDSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2O4.3C4H9.Sn/c1-12(2,3)18-11(15)13-8-6-7-9(16-4)14-10(8)17-5;3*1-3-4-2;/h7H,1-5H3,(H,13,15);3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate?
tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate has a molecular weight of 543.34 g/mol, XLogP of 6.50, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,6-dimethoxy-4-tributylstannyl-3-pyridinyl)carbamate is sourced from PubChem (CID 10437362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).