[3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate

C14H23N3O3 — CID 122189555

IUPAC[3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(COc1ccccn1)N(C)C
InChIInChI=1S/C14H23N3O3/c1-16(2)12(8-10-19-14(18)17(3)4)11-20-13-7-5-6-9-15-13/h5-7,9,12H,8,10-11H2,1-4H3
InChIKeyQWIKKUDWSUUIOM-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.48
Rot. Bonds7

About [3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate

[3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate (PubChem CID 122189555) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is [3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate
PubChem CID122189555
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name[3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(COc1ccccn1)N(C)C
InChIInChI=1S/C14H23N3O3/c1-16(2)12(8-10-19-14(18)17(3)4)11-20-13-7-5-6-9-15-13/h5-7,9,12H,8,10-11H2,1-4H3
InChIKeyQWIKKUDWSUUIOM-UHFFFAOYSA-N
XLogP1.48
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate 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 [3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate (CID 122189555) is [3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate is CN(C)C(=O)OCCC(COc1ccccn1)N(C)C.
What is the InChIKey of [3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate?
The InChIKey is QWIKKUDWSUUIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-16(2)12(8-10-19-14(18)17(3)4)11-20-13-7-5-6-9-15-13/h5-7,9,12H,8,10-11H2,1-4H3.
What are the key properties of [3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate?
[3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate has a molecular weight of 281.36 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate is sourced from PubChem (CID 122189555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).