N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide

C22H18N4O3 — CID 53148819

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCn1c(-c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)nc2cccnc21
InChIInChI=1S/C22H18N4O3/c1-26-20(25-17-6-3-9-23-21(17)26)14-4-2-5-15(12-14)22(27)24-16-7-8-18-19(13-16)29-11-10-28-18/h2-9,12-13H,10-11H2,1H3,(H,24,27)
InChIKeyAUCVGTXKURDDLK-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.66
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide (PubChem CID 53148819) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide
PubChem CID53148819
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCn1c(-c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)nc2cccnc21
InChIInChI=1S/C22H18N4O3/c1-26-20(25-17-6-3-9-23-21(17)26)14-4-2-5-15(12-14)22(27)24-16-7-8-18-19(13-16)29-11-10-28-18/h2-9,12-13H,10-11H2,1H3,(H,24,27)
InChIKeyAUCVGTXKURDDLK-UHFFFAOYSA-N
XLogP3.66
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide (CID 53148819) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide is Cn1c(-c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)nc2cccnc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide?
The InChIKey is AUCVGTXKURDDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-26-20(25-17-6-3-9-23-21(17)26)14-4-2-5-15(12-14)22(27)24-16-7-8-18-19(13-16)29-11-10-28-18/h2-9,12-13H,10-11H2,1H3,(H,24,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide has a molecular weight of 386.41 g/mol, XLogP of 3.66, 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)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 53148819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).