2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide

C26H28N4O4 — CID 43992395

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)C(C)Oc4ccc5c(c4)OCO5)cc3)nn2)CC1
InChIInChI=1S/C26H28N4O4/c1-17-11-13-30(14-12-17)25-10-8-22(28-29-25)19-3-5-20(6-4-19)27-26(31)18(2)34-21-7-9-23-24(15-21)33-16-32-23/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,27,31)
InChIKeyHERSKYCPEJYOPZ-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.51
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide

2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide (PubChem CID 43992395) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
PubChem CID43992395
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)C(C)Oc4ccc5c(c4)OCO5)cc3)nn2)CC1
InChIInChI=1S/C26H28N4O4/c1-17-11-13-30(14-12-17)25-10-8-22(28-29-25)19-3-5-20(6-4-19)27-26(31)18(2)34-21-7-9-23-24(15-21)33-16-32-23/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,27,31)
InChIKeyHERSKYCPEJYOPZ-UHFFFAOYSA-N
XLogP4.51
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991938
2-(3,5-dimethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43991537
2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43992664
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide
CID 43992237
1-(1,3-benzodioxol-5-yl)-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992554
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 43992532
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7593475
(3S)-N-(1,3-benzodioxol-5-yl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866144
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide
CID 121046362
2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide
CID 45147837
(2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 39854933

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide (CID 43992395) is 2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide is CC1CCN(c2ccc(-c3ccc(NC(=O)C(C)Oc4ccc5c(c4)OCO5)cc3)nn2)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The InChIKey is HERSKYCPEJYOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-17-11-13-30(14-12-17)25-10-8-22(28-29-25)19-3-5-20(6-4-19)27-26(31)18(2)34-21-7-9-23-24(15-21)33-16-32-23/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,27,31).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide?
2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide has a molecular weight of 460.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide is sourced from PubChem (CID 43992395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).