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

C15H16N4O3 — CID 113050284

IUPACN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C15H16N4O3/c1-2-15(20)17-14-6-5-13(18-19-14)16-10-3-4-11-12(9-10)22-8-7-21-11/h3-6,9H,2,7-8H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyLKWMPAZZBMPLME-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.34
Rot. Bonds4

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

N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide (PubChem CID 113050284) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide
PubChem CID113050284
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C15H16N4O3/c1-2-15(20)17-14-6-5-13(18-19-14)16-10-3-4-11-12(9-10)22-8-7-21-11/h3-6,9H,2,7-8H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyLKWMPAZZBMPLME-UHFFFAOYSA-N
XLogP2.34
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
CID 113050204
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050307
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113050313
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113050208
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113050339
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109128286
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridazine-3-carboxylate
CID 167970549
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-phenylpropanamide
CID 113050236
6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109130191
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propanoylamino)thiourea
CID 17375583
methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate
CID 113021680

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide?
The IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide (CID 113050284) is N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)nn1.
What is the InChIKey of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide?
The InChIKey is LKWMPAZZBMPLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-2-15(20)17-14-6-5-13(18-19-14)16-10-3-4-11-12(9-10)22-8-7-21-11/h3-6,9H,2,7-8H2,1H3,(H,16,18)(H,17,19,20).
What are the key properties of N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide?
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide has a molecular weight of 300.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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]propanamide is sourced from PubChem (CID 113050284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).