N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

C21H18N4O2 — CID 4620907

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C21H18N4O2/c1-14-5-8-19-24-20(16-4-2-3-9-22-16)21(25(19)13-14)23-15-6-7-17-18(12-15)27-11-10-26-17/h2-9,12-13,23H,10-11H2,1H3
InChIKeyCYZOJZKKNOLVFE-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.22
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 4620907) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID4620907
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C21H18N4O2/c1-14-5-8-19-24-20(16-4-2-3-9-22-16)21(25(19)13-14)23-15-6-7-17-18(12-15)27-11-10-26-17/h2-9,12-13,23H,10-11H2,1H3
InChIKeyCYZOJZKKNOLVFE-UHFFFAOYSA-N
XLogP4.22
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (CID 4620907) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCCO4)n2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is CYZOJZKKNOLVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-5-8-19-24-20(16-4-2-3-9-22-16)21(25(19)13-14)23-15-6-7-17-18(12-15)27-11-10-26-17/h2-9,12-13,23H,10-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 358.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 4620907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).