N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide

C17H15N3O3 — CID 645754

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)Nc3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C17H15N3O3/c1-11-4-5-20-10-13(19-16(20)8-11)17(21)18-12-2-3-14-15(9-12)23-7-6-22-14/h2-5,8-10H,6-7H2,1H3,(H,18,21)
InChIKeyAPUUECPWKWAHRG-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.67
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 645754) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID645754
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)Nc3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C17H15N3O3/c1-11-4-5-20-10-13(19-16(20)8-11)17(21)18-12-2-3-14-15(9-12)23-7-6-22-14/h2-5,8-10H,6-7H2,1H3,(H,18,21)
InChIKeyAPUUECPWKWAHRG-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 ≤ 500309.33
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)-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 645754) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccn2cc(C(=O)Nc3ccc4c(c3)OCCO4)nc2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is APUUECPWKWAHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-4-5-20-10-13(19-16(20)8-11)17(21)18-12-2-3-14-15(9-12)23-7-6-22-14/h2-5,8-10H,6-7H2,1H3,(H,18,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 309.33 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)-7-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 645754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).