ethyl N-pyridin-4-ylcarbamate

C8H10N2O2 — CID 766500

IUPACethyl N-pyridin-4-ylcarbamate
SMILESCCOC(=O)Nc1ccncc1
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-3-5-9-6-4-7/h3-6H,2H2,1H3,(H,9,10,11)
InChIKeyRPJQHJLOMYJUHA-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.65
Rot. Bonds2

About ethyl N-pyridin-4-ylcarbamate

ethyl N-pyridin-4-ylcarbamate (PubChem CID 766500) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is ethyl N-pyridin-4-ylcarbamate.

Molecular Properties

Compound Nameethyl N-pyridin-4-ylcarbamate
PubChem CID766500
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameethyl N-pyridin-4-ylcarbamate
SMILESCCOC(=O)Nc1ccncc1
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-3-5-9-6-4-7/h3-6H,2H2,1H3,(H,9,10,11)
InChIKeyRPJQHJLOMYJUHA-UHFFFAOYSA-N
XLogP1.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-pyridin-4-ylcarbamate?
The IUPAC name of ethyl N-pyridin-4-ylcarbamate (CID 766500) is ethyl N-pyridin-4-ylcarbamate.
What is the SMILES notation for ethyl N-pyridin-4-ylcarbamate?
The canonical SMILES for ethyl N-pyridin-4-ylcarbamate is CCOC(=O)Nc1ccncc1.
What is the InChIKey of ethyl N-pyridin-4-ylcarbamate?
The InChIKey is RPJQHJLOMYJUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-3-5-9-6-4-7/h3-6H,2H2,1H3,(H,9,10,11).
What are the key properties of ethyl N-pyridin-4-ylcarbamate?
ethyl N-pyridin-4-ylcarbamate has a molecular weight of 166.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-pyridin-4-ylcarbamate is sourced from PubChem (CID 766500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).