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

C18H19N4O3+ — CID 46889659

IUPAC[4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(-c2c[n+]3c(NC=O)cccc3n2C)cc1
InChIInChI=1S/C18H18N4O3/c1-20(2)18(24)25-14-9-7-13(8-10-14)15-11-22-16(19-12-23)5-4-6-17(22)21(15)3/h4-12H,1-3H3/p+1
InChIKeyCRBCYWRXPNLTSR-UHFFFAOYSA-O
MW339.38 g/mol
LogP2.06
Rot. Bonds4

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

[4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate (PubChem CID 46889659) has the molecular formula C18H19N4O3+ and a molecular weight of 339.38 g/mol. Its IUPAC name is [4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate
PubChem CID46889659
Molecular FormulaC18H19N4O3+
Molecular Weight339.38 g/mol
Exact Mass339.15
IUPAC Name[4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(-c2c[n+]3c(NC=O)cccc3n2C)cc1
InChIInChI=1S/C18H18N4O3/c1-20(2)18(24)25-14-9-7-13(8-10-14)15-11-22-16(19-12-23)5-4-6-17(22)21(15)3/h4-12H,1-3H3/p+1
InChIKeyCRBCYWRXPNLTSR-UHFFFAOYSA-O
XLogP2.06
TPSA67.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate (CID 46889659) is [4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(-c2c[n+]3c(NC=O)cccc3n2C)cc1.
What is the InChIKey of [4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate?
The InChIKey is CRBCYWRXPNLTSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N4O3/c1-20(2)18(24)25-14-9-7-13(8-10-14)15-11-22-16(19-12-23)5-4-6-17(22)21(15)3/h4-12H,1-3H3/p+1.
What are the key properties of [4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate?
[4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate has a molecular weight of 339.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 46889659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).