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

C22H20N4O3 — CID 646176

IUPACN-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide
SMILESO=C(NC1CC1)c1cccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1
InChIInChI=1S/C22H20N4O3/c27-22(24-16-5-6-16)15-2-1-3-17(12-15)23-21-9-7-18(25-26-21)14-4-8-19-20(13-14)29-11-10-28-19/h1-4,7-9,12-13,16H,5-6,10-11H2,(H,23,26)(H,24,27)
InChIKeyWMRSBWNPYOETMB-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.55
Rot. Bonds5

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

N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide (PubChem CID 646176) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide
PubChem CID646176
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide
SMILESO=C(NC1CC1)c1cccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1
InChIInChI=1S/C22H20N4O3/c27-22(24-16-5-6-16)15-2-1-3-17(12-15)23-21-9-7-18(25-26-21)14-4-8-19-20(13-14)29-11-10-28-19/h1-4,7-9,12-13,16H,5-6,10-11H2,(H,23,26)(H,24,27)
InChIKeyWMRSBWNPYOETMB-UHFFFAOYSA-N
XLogP3.55
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide with MolForge

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Related Compounds

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 155534710
N-Cyclohexyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-N-methyl-benzamide
CID 6411222
4-[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-ylamino]-benzoic acid ethyl ester
CID 6603105
3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422448
2,3-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422451
3,4-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422452
3,4-diethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 16800085
{4-[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-morpholin-4-yl-methanone
CID 6411247
Ethyl 4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]benzoate
CID 646315
N-(3,4-dimethoxyphenethyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30866610
(4-(6-(3,4-Dimethoxyphenyl)pyridazin-3-yl)piperazin-1-yl)(2-fluorophenyl)methanone
CID 42110692
(2,6-Difluorophenyl)(4-(6-(3,4-dimethoxyphenyl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 42110693

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide (CID 646176) is N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide is O=C(NC1CC1)c1cccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1.
What is the InChIKey of N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide?
The InChIKey is WMRSBWNPYOETMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-22(24-16-5-6-16)15-2-1-3-17(12-15)23-21-9-7-18(25-26-21)14-4-8-19-20(13-14)29-11-10-28-19/h1-4,7-9,12-13,16H,5-6,10-11H2,(H,23,26)(H,24,27).
What are the key properties of N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide?
N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide has a molecular weight of 388.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 646176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).