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

C20H18N4O4 — CID 113050313

IUPACN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C20H18N4O4/c25-20(13-28-15-4-2-1-3-5-15)22-19-9-8-18(23-24-19)21-14-6-7-16-17(12-14)27-11-10-26-16/h1-9,12H,10-11,13H2,(H,21,23)(H,22,24,25)
InChIKeyGRIUMHIWRKGPNN-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.01
Rot. Bonds6

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

N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide (PubChem CID 113050313) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide
PubChem CID113050313
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C20H18N4O4/c25-20(13-28-15-4-2-1-3-5-15)22-19-9-8-18(23-24-19)21-14-6-7-16-17(12-14)27-11-10-26-16/h1-9,12H,10-11,13H2,(H,21,23)(H,22,24,25)
InChIKeyGRIUMHIWRKGPNN-UHFFFAOYSA-N
XLogP3.01
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide
CID 113036240
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide
CID 113050284
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113036241
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113048215
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047782
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050307
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-phenylpropanamide
CID 113050236
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
CID 110726178
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522746
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 18905608
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
CID 113050204

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide (CID 113050313) is N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1.
What is the InChIKey of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide?
The InChIKey is GRIUMHIWRKGPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-20(13-28-15-4-2-1-3-5-15)22-19-9-8-18(23-24-19)21-14-6-7-16-17(12-14)27-11-10-26-16/h1-9,12H,10-11,13H2,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide?
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide has a molecular weight of 378.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 113050313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).