2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide

C26H31N5O3 — CID 43992945

IUPAC2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
SMILESCCOc1cccc(OC(C)C(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)c1
InChIInChI=1S/C26H31N5O3/c1-4-33-22-6-5-7-23(18-22)34-19(2)26(32)27-21-10-8-20(9-11-21)24-12-13-25(29-28-24)31-16-14-30(3)15-17-31/h5-13,18-19H,4,14-17H2,1-3H3,(H,27,32)
InChIKeyPNLDHLPKMKWRNZ-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.70
Rot. Bonds8

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

2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide (PubChem CID 43992945) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
PubChem CID43992945
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
SMILESCCOc1cccc(OC(C)C(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)c1
InChIInChI=1S/C26H31N5O3/c1-4-33-22-6-5-7-23(18-22)34-19(2)26(32)27-21-10-8-20(9-11-21)24-12-13-25(29-28-24)31-16-14-30(3)15-17-31/h5-13,18-19H,4,14-17H2,1-3H3,(H,27,32)
InChIKeyPNLDHLPKMKWRNZ-UHFFFAOYSA-N
XLogP3.70
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991668
2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992084
N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 43992532
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 43992920
2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992887
2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43992664
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(4-phenoxyphenyl)urea
CID 43992993
2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 43992265
1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43992967
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928
2-(1,3-benzodioxol-5-yloxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992395

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The IUPAC name of 2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide (CID 43992945) is 2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The canonical SMILES for 2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide is CCOc1cccc(OC(C)C(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
The InChIKey is PNLDHLPKMKWRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-4-33-22-6-5-7-23(18-22)34-19(2)26(32)27-21-10-8-20(9-11-21)24-12-13-25(29-28-24)31-16-14-30(3)15-17-31/h5-13,18-19H,4,14-17H2,1-3H3,(H,27,32).
What are the key properties of 2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide?
2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide has a molecular weight of 461.57 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide is sourced from PubChem (CID 43992945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).