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

C24H24N4O5 — CID 43991938

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C24H24N4O5/c1-16(33-19-5-7-21-22(14-19)32-15-31-21)24(29)25-18-4-2-3-17(13-18)20-6-8-23(27-26-20)28-9-11-30-12-10-28/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,29)
InChIKeyQHIFDZFDYXSOHK-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.11
Rot. Bonds6

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

2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide (PubChem CID 43991938) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
PubChem CID43991938
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C24H24N4O5/c1-16(33-19-5-7-21-22(14-19)32-15-31-21)24(29)25-18-4-2-3-17(13-18)20-6-8-23(27-26-20)28-9-11-30-12-10-28/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,29)
InChIKeyQHIFDZFDYXSOHK-UHFFFAOYSA-N
XLogP3.11
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 42109873
2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991945
2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992395
2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991672
2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991668
2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991674
1-(2-ethylphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991969
1-(1,3-benzodioxol-5-yl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991826
2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992084
2-(3,5-dimethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43991537
2-(2-ethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43991905
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide (CID 43991938) is 2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide is CC(Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is QHIFDZFDYXSOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-16(33-19-5-7-21-22(14-19)32-15-31-21)24(29)25-18-4-2-3-17(13-18)20-6-8-23(27-26-20)28-9-11-30-12-10-28/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,29).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 448.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 43991938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).