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

C19H21ClN4O3 — CID 46889742

IUPAC[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride
SMILESCC(=O)Nc1cccc2n(C)c(-c3cccc(OC(=O)N(C)C)c3)c[n+]12.[Cl-]
InChIInChI=1S/C19H20N4O3.ClH/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;1H
InChIKeyWMEMCMQXRWVXIZ-UHFFFAOYSA-N
MW388.86 g/mol
LogP-0.55
Rot. Bonds3

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

[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride (PubChem CID 46889742) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride.

Molecular Properties

Compound Name[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride
PubChem CID46889742
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride
SMILESCC(=O)Nc1cccc2n(C)c(-c3cccc(OC(=O)N(C)C)c3)c[n+]12.[Cl-]
InChIInChI=1S/C19H20N4O3.ClH/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;1H
InChIKeyWMEMCMQXRWVXIZ-UHFFFAOYSA-N
XLogP-0.55
TPSA67.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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 chloride?
The IUPAC name of [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride (CID 46889742) is [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride.
What is the SMILES notation for [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride?
The canonical SMILES for [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride is CC(=O)Nc1cccc2n(C)c(-c3cccc(OC(=O)N(C)C)c3)c[n+]12.[Cl-].
What is the InChIKey of [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride?
The InChIKey is WMEMCMQXRWVXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3.ClH/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;1H.
What are the key properties of [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride?
[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate chloride has a molecular weight of 388.86 g/mol, XLogP of -0.55, 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 chloride is sourced from PubChem (CID 46889742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).