pyridin-3-ylmethyl N,N-dimethylcarbamate

C9H12N2O2 — CID 90804170

IUPACpyridin-3-ylmethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1cccnc1
InChIInChI=1S/C9H12N2O2/c1-11(2)9(12)13-7-8-4-3-5-10-6-8/h3-6H,7H2,1-2H3
InChIKeyQEVBBUCZWUIKFP-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.28
Rot. Bonds2

About pyridin-3-ylmethyl N,N-dimethylcarbamate

pyridin-3-ylmethyl N,N-dimethylcarbamate (PubChem CID 90804170) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is pyridin-3-ylmethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N,N-dimethylcarbamate
PubChem CID90804170
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namepyridin-3-ylmethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1cccnc1
InChIInChI=1S/C9H12N2O2/c1-11(2)9(12)13-7-8-4-3-5-10-6-8/h3-6H,7H2,1-2H3
InChIKeyQEVBBUCZWUIKFP-UHFFFAOYSA-N
XLogP1.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N,N-dimethylcarbamate?
The IUPAC name of pyridin-3-ylmethyl N,N-dimethylcarbamate (CID 90804170) is pyridin-3-ylmethyl N,N-dimethylcarbamate.
What is the SMILES notation for pyridin-3-ylmethyl N,N-dimethylcarbamate?
The canonical SMILES for pyridin-3-ylmethyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl N,N-dimethylcarbamate?
The InChIKey is QEVBBUCZWUIKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)9(12)13-7-8-4-3-5-10-6-8/h3-6H,7H2,1-2H3.
What are the key properties of pyridin-3-ylmethyl N,N-dimethylcarbamate?
pyridin-3-ylmethyl N,N-dimethylcarbamate has a molecular weight of 180.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N,N-dimethylcarbamate is sourced from PubChem (CID 90804170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).