cyclohexyl N-pyridin-2-ylcarbamate

C12H16N2O2 — CID 127539206

IUPACcyclohexyl N-pyridin-2-ylcarbamate
SMILESO=C(Nc1ccccn1)OC1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-11-8-4-5-9-13-11)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,13,14,15)
InChIKeyDSXLPXKCZIHTHL-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.96
Rot. Bonds2

About cyclohexyl N-pyridin-2-ylcarbamate

cyclohexyl N-pyridin-2-ylcarbamate (PubChem CID 127539206) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is cyclohexyl N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Namecyclohexyl N-pyridin-2-ylcarbamate
PubChem CID127539206
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namecyclohexyl N-pyridin-2-ylcarbamate
SMILESO=C(Nc1ccccn1)OC1CCCCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-11-8-4-5-9-13-11)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,13,14,15)
InChIKeyDSXLPXKCZIHTHL-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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Related Compounds

cyclobutyl N-(6-bromo-2-pyridinyl)carbamate
CID 130640494
N-cyclohexylpyridin-2-amine;methanamine
CID 143850003
(1-pyridin-2-ylpiperidin-4-yl) N-(5-hydroxy-2-pyridinyl)carbamate
CID 142622775
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
cyclooctyl 2-pyridin-2-ylacetate
CID 15055568
(Z)-but-2-enedioic acid;N-pyridin-2-ylcyclohexanecarboxamide;hydrate
CID 174341375
1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea
CID 51105726
(2-methylphenyl) N-pyridin-2-ylcarbamate
CID 127542519
(2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 15605895
cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 127539075
cyclohexyl 2-pyridin-2-ylpropanoate
CID 21278953
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-pyridin-2-ylcarbamate?
The IUPAC name of cyclohexyl N-pyridin-2-ylcarbamate (CID 127539206) is cyclohexyl N-pyridin-2-ylcarbamate.
What is the SMILES notation for cyclohexyl N-pyridin-2-ylcarbamate?
The canonical SMILES for cyclohexyl N-pyridin-2-ylcarbamate is O=C(Nc1ccccn1)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-pyridin-2-ylcarbamate?
The InChIKey is DSXLPXKCZIHTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(14-11-8-4-5-9-13-11)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,13,14,15).
What are the key properties of cyclohexyl N-pyridin-2-ylcarbamate?
cyclohexyl N-pyridin-2-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-2-ylcarbamate is sourced from PubChem (CID 127539206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).