tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate

C14H22N2O3 — CID 123283316

IUPACtert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cc(C)cn(C)c1=O
InChIInChI=1S/C14H22N2O3/c1-7-16(13(18)19-14(3,4)5)11-8-10(2)9-15(6)12(11)17/h8-9H,7H2,1-6H3
InChIKeyZHWRGIOUPCABIX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate

tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate (PubChem CID 123283316) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate
PubChem CID123283316
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cc(C)cn(C)c1=O
InChIInChI=1S/C14H22N2O3/c1-7-16(13(18)19-14(3,4)5)11-8-10(2)9-15(6)12(11)17/h8-9H,7H2,1-6H3
InChIKeyZHWRGIOUPCABIX-UHFFFAOYSA-N
XLogP2.46
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate?
The IUPAC name of tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate (CID 123283316) is tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)c1cc(C)cn(C)c1=O.
What is the InChIKey of tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate?
The InChIKey is ZHWRGIOUPCABIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-7-16(13(18)19-14(3,4)5)11-8-10(2)9-15(6)12(11)17/h8-9H,7H2,1-6H3.
What are the key properties of tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate?
tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate has a molecular weight of 266.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate is sourced from PubChem (CID 123283316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).