tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate

C13H20N2O3 — CID 70798094

IUPACtert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
SMILESCC(C)Oc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C13H20N2O3/c1-9(2)17-10-6-7-11(14-8-10)15-12(16)18-13(3,4)5/h6-9H,1-5H3,(H,14,15,16)
InChIKeyUJGDLLOSILTYEL-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate

tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate (PubChem CID 70798094) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
PubChem CID70798094
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
SMILESCC(C)Oc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C13H20N2O3/c1-9(2)17-10-6-7-11(14-8-10)15-12(16)18-13(3,4)5/h6-9H,1-5H3,(H,14,15,16)
InChIKeyUJGDLLOSILTYEL-UHFFFAOYSA-N
XLogP3.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate
CID 112987837
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-(5-prop-1-ynyl-2-pyridinyl)carbamate
CID 174419990
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151
tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate
CID 103936619
tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate
CID 107243064
tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
CID 103936587
tert-butyl N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]carbamate
CID 155746482
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate (CID 70798094) is tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate is CC(C)Oc1ccc(NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate?
The InChIKey is UJGDLLOSILTYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)17-10-6-7-11(14-8-10)15-12(16)18-13(3,4)5/h6-9H,1-5H3,(H,14,15,16).
What are the key properties of tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate?
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate has a molecular weight of 252.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate is sourced from PubChem (CID 70798094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).