[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate

C19H21N4O3+ — CID 46889743

IUPAC[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate
SMILESCC(=O)Nc1cccc2n(C)c(-c3cccc(OC(=O)N(C)C)c3)c[n+]12
InChIInChI=1S/C19H20N4O3/c1-13(24)20-17-9-6-10-18-22(4)16(12-23(17)18)14-7-5-8-15(11-14)26-19(25)21(2)3/h5-12H,1-4H3/p+1
InChIKeyBSXYNWXJSDYDGT-UHFFFAOYSA-O
MW353.40 g/mol
LogP2.45
Rot. Bonds3

About [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate

[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate (PubChem CID 46889743) has the molecular formula C19H21N4O3+ and a molecular weight of 353.40 g/mol. Its IUPAC name is [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate
PubChem CID46889743
Molecular FormulaC19H21N4O3+
Molecular Weight353.40 g/mol
Exact Mass353.16
IUPAC Name[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate
SMILESCC(=O)Nc1cccc2n(C)c(-c3cccc(OC(=O)N(C)C)c3)c[n+]12
InChIInChI=1S/C19H20N4O3/c1-13(24)20-17-9-6-10-18-22(4)16(12-23(17)18)14-7-5-8-15(11-14)26-19(25)21(2)3/h5-12H,1-4H3/p+1
InChIKeyBSXYNWXJSDYDGT-UHFFFAOYSA-O
XLogP2.45
TPSA67.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] 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-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate (CID 46889743) is [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate is CC(=O)Nc1cccc2n(C)c(-c3cccc(OC(=O)N(C)C)c3)c[n+]12.
What is the InChIKey of [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate?
The InChIKey is BSXYNWXJSDYDGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N4O3/c1-13(24)20-17-9-6-10-18-22(4)16(12-23(17)18)14-7-5-8-15(11-14)26-19(25)21(2)3/h5-12H,1-4H3/p+1.
What are the key properties of [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate?
[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate has a molecular weight of 353.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 46889743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).