tert-butyl N-pyridin-3-ylcarbamate

C10H14N2O2 — CID 10932321

IUPACtert-butyl N-pyridin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1cccnc1
InChIInChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H,12,13)
InChIKeyWKHGDPZRLXDVMJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.43
Rot. Bonds1

About tert-butyl N-pyridin-3-ylcarbamate

tert-butyl N-pyridin-3-ylcarbamate (PubChem CID 10932321) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is tert-butyl N-pyridin-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-pyridin-3-ylcarbamate
PubChem CID10932321
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nametert-butyl N-pyridin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1cccnc1
InChIInChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H,12,13)
InChIKeyWKHGDPZRLXDVMJ-UHFFFAOYSA-N
XLogP2.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-pyridin-3-ylcarbamate?
The IUPAC name of tert-butyl N-pyridin-3-ylcarbamate (CID 10932321) is tert-butyl N-pyridin-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-pyridin-3-ylcarbamate?
The canonical SMILES for tert-butyl N-pyridin-3-ylcarbamate is CC(C)(C)OC(=O)Nc1cccnc1.
What is the InChIKey of tert-butyl N-pyridin-3-ylcarbamate?
The InChIKey is WKHGDPZRLXDVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-pyridin-3-ylcarbamate?
tert-butyl N-pyridin-3-ylcarbamate has a molecular weight of 194.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-pyridin-3-ylcarbamate is sourced from PubChem (CID 10932321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).