N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C17H15N3O3 — CID 1172201

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O3/c1-11-16(20-7-3-2-4-15(20)18-11)17(21)19-12-5-6-13-14(10-12)23-9-8-22-13/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyZPTLKCGKSDZVKI-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.67
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 1172201) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID1172201
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O3/c1-11-16(20-7-3-2-4-15(20)18-11)17(21)19-12-5-6-13-14(10-12)23-9-8-22-13/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyZPTLKCGKSDZVKI-UHFFFAOYSA-N
XLogP2.67
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 1172201) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZPTLKCGKSDZVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-16(20-7-3-2-4-15(20)18-11)17(21)19-12-5-6-13-14(10-12)23-9-8-22-13/h2-7,10H,8-9H2,1H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 1172201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).