3-pyridin-3-ylpropyl N-phenylcarbamate

C15H16N2O2 — CID 10060963

IUPAC3-pyridin-3-ylpropyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCCc1cccnc1
InChIInChI=1S/C15H16N2O2/c18-15(17-14-8-2-1-3-9-14)19-11-5-7-13-6-4-10-16-12-13/h1-4,6,8-10,12H,5,7,11H2,(H,17,18)
InChIKeyCYIYSZYKJGXBSG-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.26
Rot. Bonds5

About 3-pyridin-3-ylpropyl N-phenylcarbamate

3-pyridin-3-ylpropyl N-phenylcarbamate (PubChem CID 10060963) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-pyridin-3-ylpropyl N-phenylcarbamate.

Molecular Properties

Compound Name3-pyridin-3-ylpropyl N-phenylcarbamate
PubChem CID10060963
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-pyridin-3-ylpropyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCCc1cccnc1
InChIInChI=1S/C15H16N2O2/c18-15(17-14-8-2-1-3-9-14)19-11-5-7-13-6-4-10-16-12-13/h1-4,6,8-10,12H,5,7,11H2,(H,17,18)
InChIKeyCYIYSZYKJGXBSG-UHFFFAOYSA-N
XLogP3.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpropyl N-phenylcarbamate?
The IUPAC name of 3-pyridin-3-ylpropyl N-phenylcarbamate (CID 10060963) is 3-pyridin-3-ylpropyl N-phenylcarbamate.
What is the SMILES notation for 3-pyridin-3-ylpropyl N-phenylcarbamate?
The canonical SMILES for 3-pyridin-3-ylpropyl N-phenylcarbamate is O=C(Nc1ccccc1)OCCCc1cccnc1.
What is the InChIKey of 3-pyridin-3-ylpropyl N-phenylcarbamate?
The InChIKey is CYIYSZYKJGXBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(17-14-8-2-1-3-9-14)19-11-5-7-13-6-4-10-16-12-13/h1-4,6,8-10,12H,5,7,11H2,(H,17,18).
What are the key properties of 3-pyridin-3-ylpropyl N-phenylcarbamate?
3-pyridin-3-ylpropyl N-phenylcarbamate has a molecular weight of 256.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpropyl N-phenylcarbamate is sourced from PubChem (CID 10060963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).