tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate

C11H14N2O4 — CID 68546563

IUPACtert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc2c1OCO2
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-10(14)13-7-4-5-12-9-8(7)15-6-16-9/h4-5H,6H2,1-3H3,(H,12,13,14)
InChIKeySVRGUFUYUICJMV-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.16
Rot. Bonds1

About tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate

tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate (PubChem CID 68546563) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate
PubChem CID68546563
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nametert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc2c1OCO2
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-10(14)13-7-4-5-12-9-8(7)15-6-16-9/h4-5H,6H2,1-3H3,(H,12,13,14)
InChIKeySVRGUFUYUICJMV-UHFFFAOYSA-N
XLogP2.16
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(7-bromo-1,3-benzodioxol-4-yl)carbamate
CID 166541090
tert-butyl N-(2-bromo-3-fluoro-4-pyridinyl)carbamate
CID 118295548
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid
CID 156860553
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
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tert-butyl N-(7-bromoquinolin-4-yl)carbamate
CID 71742953
tert-butyl N-[2-(bromomethyl)-3-pyridinyl]carbamate
CID 133061112
tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate
CID 67263638
tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 118902581
tert-butyl N-(1-methyl-4H-chromeno[3,4-d]pyrazol-6-yl)carbamate
CID 164944410
tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate
CID 164944406
tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
CID 66916666

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate?
The IUPAC name of tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate (CID 68546563) is tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate?
The canonical SMILES for tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate is CC(C)(C)OC(=O)Nc1ccnc2c1OCO2.
What is the InChIKey of tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate?
The InChIKey is SVRGUFUYUICJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2,3)17-10(14)13-7-4-5-12-9-8(7)15-6-16-9/h4-5H,6H2,1-3H3,(H,12,13,14).
What are the key properties of tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate?
tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate has a molecular weight of 238.24 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate is sourced from PubChem (CID 68546563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).