N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide

C15H16N4O3 — CID 113050204

IUPACN-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C15H16N4O3/c1-2-3-15(20)17-14-7-6-13(18-19-14)16-10-4-5-11-12(8-10)22-9-21-11/h4-8H,2-3,9H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyHYAPFLOCPZALCA-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.69
Rot. Bonds5

About N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide

N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide (PubChem CID 113050204) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
PubChem CID113050204
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc3c(c2)OCO3)nn1
InChIInChI=1S/C15H16N4O3/c1-2-3-15(20)17-14-7-6-13(18-19-14)16-10-4-5-11-12(8-10)22-9-21-11/h4-8H,2-3,9H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyHYAPFLOCPZALCA-UHFFFAOYSA-N
XLogP2.69
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
CID 113036130
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113050208
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-phenylpropanamide
CID 113050236
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide
CID 113050284
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide
CID 109109368
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113050265
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide
CID 113050240
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050307
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide?
The IUPAC name of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide (CID 113050204) is N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide.
What is the SMILES notation for N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide?
The canonical SMILES for N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide is CCCC(=O)Nc1ccc(Nc2ccc3c(c2)OCO3)nn1.
What is the InChIKey of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide?
The InChIKey is HYAPFLOCPZALCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-2-3-15(20)17-14-7-6-13(18-19-14)16-10-4-5-11-12(8-10)22-9-21-11/h4-8H,2-3,9H2,1H3,(H,16,18)(H,17,19,20).
What are the key properties of N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide?
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide has a molecular weight of 300.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113050204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).