6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine

C25H28N4O2 — CID 11026115

IUPAC6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine
SMILESc1ccc(CN2CCC(CCNc3ccc(-c4ccc5c(c4)OCO5)nn3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-2-4-20(5-3-1)17-29-14-11-19(12-15-29)10-13-26-25-9-7-22(27-28-25)21-6-8-23-24(16-21)31-18-30-23/h1-9,16,19H,10-15,17-18H2,(H,26,28)
InChIKeyZVIMHANRZCIDGP-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.59
Rot. Bonds7

About 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine

6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine (PubChem CID 11026115) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine
PubChem CID11026115
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine
SMILESc1ccc(CN2CCC(CCNc3ccc(-c4ccc5c(c4)OCO5)nn3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-2-4-20(5-3-1)17-29-14-11-19(12-15-29)10-13-26-25-9-7-22(27-28-25)21-6-8-23-24(16-21)31-18-30-23/h1-9,16,19H,10-15,17-18H2,(H,26,28)
InChIKeyZVIMHANRZCIDGP-UHFFFAOYSA-N
XLogP4.59
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 10949178
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine
CID 10938587
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-butyl-6-phenylpyridazin-3-amine
CID 59867385
6-[2-(1-benzylpiperidin-4-yl)ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
CID 141348603
2-(1,3-benzodioxol-5-ylmethylamino)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117082360
N-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138578682
N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine
CID 59867557
N-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-2-naphthalen-2-ylacetamide
CID 10872667
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone
CID 10894371
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1-benzylpiperidin-4-yl)methyl]-1-methylurea
CID 47873977
4-(1,3-benzodioxol-5-yl)-1-benzyl-2,3-dihydropyrrole
CID 10945800

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine (CID 11026115) is 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine is c1ccc(CN2CCC(CCNc3ccc(-c4ccc5c(c4)OCO5)nn3)CC2)cc1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine?
The InChIKey is ZVIMHANRZCIDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-4-20(5-3-1)17-29-14-11-19(12-15-29)10-13-26-25-9-7-22(27-28-25)21-6-8-23-24(16-21)31-18-30-23/h1-9,16,19H,10-15,17-18H2,(H,26,28).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine?
6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine has a molecular weight of 416.53 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 11026115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).