2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide

C25H28N4O3 — CID 43991668

IUPAC2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1
InChIInChI=1S/C25H28N4O3/c1-3-31-21-9-11-22(12-10-21)32-18(2)25(30)26-20-8-6-7-19(17-20)23-13-14-24(28-27-23)29-15-4-5-16-29/h6-14,17-18H,3-5,15-16H2,1-2H3,(H,26,30)
InChIKeyKIEWTPBFTBRFSP-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.55
Rot. Bonds8

About 2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide

2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide (PubChem CID 43991668) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
PubChem CID43991668
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1
InChIInChI=1S/C25H28N4O3/c1-3-31-21-9-11-22(12-10-21)32-18(2)25(30)26-20-8-6-7-19(17-20)23-13-14-24(28-27-23)29-15-4-5-16-29/h6-14,17-18H,3-5,15-16H2,1-2H3,(H,26,30)
InChIKeyKIEWTPBFTBRFSP-UHFFFAOYSA-N
XLogP4.55
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991672
2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991674
2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991637
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991753
2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992945
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992084
1-(4-ethoxyphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991571
2-(3,5-dimethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43991537
2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991938
2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43992664
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
CID 8670390

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide (CID 43991668) is 2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide is CCOc1ccc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is KIEWTPBFTBRFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-31-21-9-11-22(12-10-21)32-18(2)25(30)26-20-8-6-7-19(17-20)23-13-14-24(28-27-23)29-15-4-5-16-29/h6-14,17-18H,3-5,15-16H2,1-2H3,(H,26,30).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 432.52 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 43991668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).