cyclohexyl N-pyridin-3-ylcarbamate

C12H16N2O2 — CID 694464

IUPACcyclohexyl N-pyridin-3-ylcarbamate
SMILESO=C(Nc1cccnc1)OC1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-10-5-4-8-13-9-10)16-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,14,15)
InChIKeyNHAGYVHBUDTDHZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.96
Rot. Bonds2

About cyclohexyl N-pyridin-3-ylcarbamate

cyclohexyl N-pyridin-3-ylcarbamate (PubChem CID 694464) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is cyclohexyl N-pyridin-3-ylcarbamate.

Molecular Properties

Compound Namecyclohexyl N-pyridin-3-ylcarbamate
PubChem CID694464
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namecyclohexyl N-pyridin-3-ylcarbamate
SMILESO=C(Nc1cccnc1)OC1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-10-5-4-8-13-9-10)16-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,14,15)
InChIKeyNHAGYVHBUDTDHZ-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-pyridin-3-ylcarbamate?
The IUPAC name of cyclohexyl N-pyridin-3-ylcarbamate (CID 694464) is cyclohexyl N-pyridin-3-ylcarbamate.
What is the SMILES notation for cyclohexyl N-pyridin-3-ylcarbamate?
The canonical SMILES for cyclohexyl N-pyridin-3-ylcarbamate is O=C(Nc1cccnc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-pyridin-3-ylcarbamate?
The InChIKey is NHAGYVHBUDTDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(14-10-5-4-8-13-9-10)16-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,14,15).
What are the key properties of cyclohexyl N-pyridin-3-ylcarbamate?
cyclohexyl N-pyridin-3-ylcarbamate has a molecular weight of 220.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-pyridin-3-ylcarbamate is sourced from PubChem (CID 694464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).