tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate

C13H22N2O2Sn — CID 131735483

IUPACtert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cncc([Sn](C)(C)C)c1
InChIInChI=1S/C10H13N2O2.3CH3.Sn/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;;;;/h5-7H,1-3H3,(H,12,13);3*1H3;
InChIKeyWHNUVPAWPZBMTI-UHFFFAOYSA-N
MW357.04 g/mol
LogP2.97
Rot. Bonds2

About tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate

tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate (PubChem CID 131735483) has the molecular formula C13H22N2O2Sn and a molecular weight of 357.04 g/mol. Its IUPAC name is tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate
PubChem CID131735483
Molecular FormulaC13H22N2O2Sn
Molecular Weight357.04 g/mol
Exact Mass358.07
IUPAC Nametert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cncc([Sn](C)(C)C)c1
InChIInChI=1S/C10H13N2O2.3CH3.Sn/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;;;;/h5-7H,1-3H3,(H,12,13);3*1H3;
InChIKeyWHNUVPAWPZBMTI-UHFFFAOYSA-N
XLogP2.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.04
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 53401501
[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl] ethanesulfonate
CID 174776753
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate
CID 57416500
tert-butyl N-[5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamate
CID 76675786
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-[5-(phenylmethoxycarbamoyl)-3-pyridinyl]carbamate
CID 164753912
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155894591
tert-butyl N-(6-acetyl-5-chloro-3-pyridinyl)carbamate
CID 140703879
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate (CID 131735483) is tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1cncc([Sn](C)(C)C)c1.
What is the InChIKey of tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate?
The InChIKey is WHNUVPAWPZBMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O2.3CH3.Sn/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;;;;/h5-7H,1-3H3,(H,12,13);3*1H3;.
What are the key properties of tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate?
tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate has a molecular weight of 357.04 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate is sourced from PubChem (CID 131735483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).