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

C18H19N4O3+ — CID 46889779

IUPAC[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cccc(-c2c[n+]3c(NC(C)=O)cccc3n2C)c1
InChIInChI=1S/C18H18N4O3/c1-12(23)20-16-8-5-9-17-21(3)15(11-22(16)17)13-6-4-7-14(10-13)25-18(24)19-2/h4-11H,1-3H3,(H,19,24)/p+1
InChIKeyHYLFKWSJNHUCHY-UHFFFAOYSA-O
MW339.38 g/mol
LogP2.11
Rot. Bonds3

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

[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate (PubChem CID 46889779) has the molecular formula C18H19N4O3+ and a molecular weight of 339.38 g/mol. Its IUPAC name is [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate
PubChem CID46889779
Molecular FormulaC18H19N4O3+
Molecular Weight339.38 g/mol
Exact Mass339.15
IUPAC Name[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cccc(-c2c[n+]3c(NC(C)=O)cccc3n2C)c1
InChIInChI=1S/C18H18N4O3/c1-12(23)20-16-8-5-9-17-21(3)15(11-22(16)17)13-6-4-7-14(10-13)25-18(24)19-2/h4-11H,1-3H3,(H,19,24)/p+1
InChIKeyHYLFKWSJNHUCHY-UHFFFAOYSA-O
XLogP2.11
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
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-methylcarbamate?
The IUPAC name of [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate (CID 46889779) is [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate.
What is the SMILES notation for [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate?
The canonical SMILES for [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate is CNC(=O)Oc1cccc(-c2c[n+]3c(NC(C)=O)cccc3n2C)c1.
What is the InChIKey of [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate?
The InChIKey is HYLFKWSJNHUCHY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N4O3/c1-12(23)20-16-8-5-9-17-21(3)15(11-22(16)17)13-6-4-7-14(10-13)25-18(24)19-2/h4-11H,1-3H3,(H,19,24)/p+1.
What are the key properties of [3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate?
[3-(5-acetamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate has a molecular weight of 339.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 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-methylcarbamate is sourced from PubChem (CID 46889779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).