(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate

C12H16N3O2+ — CID 852447

IUPAC(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate
SMILESCc1c[n+]2ccc(OC(=O)N(C)C)cc2n1C
InChIInChI=1S/C12H16N3O2/c1-9-8-15-6-5-10(7-11(15)14(9)4)17-12(16)13(2)3/h5-8H,1-4H3/q+1
InChIKeyJNXPIRFPOMOZKU-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.13
Rot. Bonds1

About (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate

(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate (PubChem CID 852447) has the molecular formula C12H16N3O2+ and a molecular weight of 234.28 g/mol. Its IUPAC name is (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate
PubChem CID852447
Molecular FormulaC12H16N3O2+
Molecular Weight234.28 g/mol
Exact Mass234.12
IUPAC Name(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate
SMILESCc1c[n+]2ccc(OC(=O)N(C)C)cc2n1C
InChIInChI=1S/C12H16N3O2/c1-9-8-15-6-5-10(7-11(15)14(9)4)17-12(16)13(2)3/h5-8H,1-4H3/q+1
InChIKeyJNXPIRFPOMOZKU-UHFFFAOYSA-N
XLogP1.13
TPSA38.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) 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 (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate?
The IUPAC name of (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate (CID 852447) is (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate is Cc1c[n+]2ccc(OC(=O)N(C)C)cc2n1C.
What is the InChIKey of (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate?
The InChIKey is JNXPIRFPOMOZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3O2/c1-9-8-15-6-5-10(7-11(15)14(9)4)17-12(16)13(2)3/h5-8H,1-4H3/q+1.
What are the key properties of (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate?
(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate has a molecular weight of 234.28 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 852447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).