N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C17H15N3O3 — CID 645620

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N3O3/c1-11-16(20-7-3-2-4-15(20)19-11)17(21)18-9-12-5-6-13-14(8-12)23-10-22-13/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeyXUMNXDVKFUMTSM-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.30
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 645620) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID645620
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N3O3/c1-11-16(20-7-3-2-4-15(20)19-11)17(21)18-9-12-5-6-13-14(8-12)23-10-22-13/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeyXUMNXDVKFUMTSM-UHFFFAOYSA-N
XLogP2.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 645620) is N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XUMNXDVKFUMTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-16(20-7-3-2-4-15(20)19-11)17(21)18-9-12-5-6-13-14(8-12)23-10-22-13/h2-8H,9-10H2,1H3,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 645620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).