N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

C22H23N5O4 — CID 121101317

IUPACN-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
SMILESCC(=O)NCCOc1ccc(NC(=O)C(C)n2nc(-c3ccncc3)ccc2=O)cc1
InChIInChI=1S/C22H23N5O4/c1-15(27-21(29)8-7-20(26-27)17-9-11-23-12-10-17)22(30)25-18-3-5-19(6-4-18)31-14-13-24-16(2)28/h3-12,15H,13-14H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyKQTYFZKJSFRAJJ-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.02
Rot. Bonds8

About N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (PubChem CID 121101317) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
PubChem CID121101317
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
SMILESCC(=O)NCCOc1ccc(NC(=O)C(C)n2nc(-c3ccncc3)ccc2=O)cc1
InChIInChI=1S/C22H23N5O4/c1-15(27-21(29)8-7-20(26-27)17-9-11-23-12-10-17)22(30)25-18-3-5-19(6-4-18)31-14-13-24-16(2)28/h3-12,15H,13-14H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyKQTYFZKJSFRAJJ-UHFFFAOYSA-N
XLogP2.02
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)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

N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517675
N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121101308
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050682
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051137
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 121100942
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101299
N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101290
2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 121101323
N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101287
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101160
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101246
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-(4-ethoxyphenoxy)ethyl]propanamide
CID 122278956

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (CID 121101317) is N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is CC(=O)NCCOc1ccc(NC(=O)C(C)n2nc(-c3ccncc3)ccc2=O)cc1.
What is the InChIKey of N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The InChIKey is KQTYFZKJSFRAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-15(27-21(29)8-7-20(26-27)17-9-11-23-12-10-17)22(30)25-18-3-5-19(6-4-18)31-14-13-24-16(2)28/h3-12,15H,13-14H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide has a molecular weight of 421.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121101317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).