pyridin-2-ylmethyl N-phenylcarbamate

C13H12N2O2 — CID 658831

IUPACpyridin-2-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1ccccn1
InChIInChI=1S/C13H12N2O2/c16-13(15-11-6-2-1-3-7-11)17-10-12-8-4-5-9-14-12/h1-9H,10H2,(H,15,16)
InChIKeyRTPXTRLJPDQQID-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.83
Rot. Bonds3

About pyridin-2-ylmethyl N-phenylcarbamate

pyridin-2-ylmethyl N-phenylcarbamate (PubChem CID 658831) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is pyridin-2-ylmethyl N-phenylcarbamate.

Molecular Properties

Compound Namepyridin-2-ylmethyl N-phenylcarbamate
PubChem CID658831
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namepyridin-2-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1ccccn1
InChIInChI=1S/C13H12N2O2/c16-13(15-11-6-2-1-3-7-11)17-10-12-8-4-5-9-14-12/h1-9H,10H2,(H,15,16)
InChIKeyRTPXTRLJPDQQID-UHFFFAOYSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl N-phenylcarbamate?
The IUPAC name of pyridin-2-ylmethyl N-phenylcarbamate (CID 658831) is pyridin-2-ylmethyl N-phenylcarbamate.
What is the SMILES notation for pyridin-2-ylmethyl N-phenylcarbamate?
The canonical SMILES for pyridin-2-ylmethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl N-phenylcarbamate?
The InChIKey is RTPXTRLJPDQQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(15-11-6-2-1-3-7-11)17-10-12-8-4-5-9-14-12/h1-9H,10H2,(H,15,16).
What are the key properties of pyridin-2-ylmethyl N-phenylcarbamate?
pyridin-2-ylmethyl N-phenylcarbamate has a molecular weight of 228.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl N-phenylcarbamate is sourced from PubChem (CID 658831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).