N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide

C26H21N3O5 — CID 46387014

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide
SMILESCOc1ccc(Oc2ccc(-c3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)nn2)cc1
InChIInChI=1S/C26H21N3O5/c1-31-20-6-8-21(9-7-20)34-25-12-10-22(28-29-25)17-3-2-4-18(15-17)26(30)27-19-5-11-23-24(16-19)33-14-13-32-23/h2-12,15-16H,13-14H2,1H3,(H,27,30)
InChIKeyBPUWWKMNTQSENU-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.97
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide (PubChem CID 46387014) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide
PubChem CID46387014
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide
SMILESCOc1ccc(Oc2ccc(-c3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)nn2)cc1
InChIInChI=1S/C26H21N3O5/c1-31-20-6-8-21(9-7-20)34-25-12-10-22(28-29-25)17-3-2-4-18(15-17)26(30)27-19-5-11-23-24(16-19)33-14-13-32-23/h2-12,15-16H,13-14H2,1H3,(H,27,30)
InChIKeyBPUWWKMNTQSENU-UHFFFAOYSA-N
XLogP4.97
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-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

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116870
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
CID 46387049
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816257
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778639
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816225
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 17498842
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-4-[(4-methoxyphenyl)diazenyl]benzamide
CID 102336284
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283333
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747200

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide (CID 46387014) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide is COc1ccc(Oc2ccc(-c3cccc(C(=O)Nc4ccc5c(c4)OCCO5)c3)nn2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide?
The InChIKey is BPUWWKMNTQSENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-31-20-6-8-21(9-7-20)34-25-12-10-22(28-29-25)17-3-2-4-18(15-17)26(30)27-19-5-11-23-24(16-19)33-14-13-32-23/h2-12,15-16H,13-14H2,1H3,(H,27,30).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide has a molecular weight of 455.47 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide is sourced from PubChem (CID 46387014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).