tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate

C13H21N2O4P — CID 178148163

IUPACtert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nc(P(C)(C)=O)ccc1O
InChIInChI=1S/C13H21N2O4P/c1-13(2,3)19-12(17)15(4)11-9(16)7-8-10(14-11)20(5,6)18/h7-8,16H,1-6H3
InChIKeyFUQUKPKOOIDGJJ-UHFFFAOYSA-N
MW300.30 g/mol
LogP2.41
Rot. Bonds2

About tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate

tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate (PubChem CID 178148163) has the molecular formula C13H21N2O4P and a molecular weight of 300.30 g/mol. Its IUPAC name is tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate
PubChem CID178148163
Molecular FormulaC13H21N2O4P
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Nametert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nc(P(C)(C)=O)ccc1O
InChIInChI=1S/C13H21N2O4P/c1-13(2,3)19-12(17)15(4)11-9(16)7-8-10(14-11)20(5,6)18/h7-8,16H,1-6H3
InChIKeyFUQUKPKOOIDGJJ-UHFFFAOYSA-N
XLogP2.41
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate
CID 90054827
tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 174502211
tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate
CID 141203596
tert-butyl N-[3-(bromomethyl)-2-pyridinyl]-N-methylcarbamate
CID 141274850
tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate
CID 101072166
tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate
CID 152843772
tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate
CID 89243683
tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-(2-bromopyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 142721523
tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate
CID 91066797
tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
CID 58695834
tert-butyl N-methyl-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)carbamate
CID 123197257

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate (CID 178148163) is tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1nc(P(C)(C)=O)ccc1O.
What is the InChIKey of tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate?
The InChIKey is FUQUKPKOOIDGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2O4P/c1-13(2,3)19-12(17)15(4)11-9(16)7-8-10(14-11)20(5,6)18/h7-8,16H,1-6H3.
What are the key properties of tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate?
tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate has a molecular weight of 300.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-dimethylphosphoryl-3-hydroxy-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 178148163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).