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

C20H22N6O4 — CID 90517675

IUPACN-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
SMILESCC(=O)NCCOc1ccc(NC(=O)C(C)n2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C20H22N6O4/c1-14(26-19(28)9-8-18(24-26)25-12-3-10-22-25)20(29)23-16-4-6-17(7-5-16)30-13-11-21-15(2)27/h3-10,12,14H,11,13H2,1-2H3,(H,21,27)(H,23,29)
InChIKeyYTMQMZGZLWESJG-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.14
Rot. Bonds8

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

N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide (PubChem CID 90517675) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
PubChem CID90517675
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC NameN-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
SMILESCC(=O)NCCOc1ccc(NC(=O)C(C)n2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C20H22N6O4/c1-14(26-19(28)9-8-18(24-26)25-12-3-10-22-25)20(29)23-16-4-6-17(7-5-16)30-13-11-21-15(2)27/h3-10,12,14H,11,13H2,1-2H3,(H,21,27)(H,23,29)
InChIKeyYTMQMZGZLWESJG-UHFFFAOYSA-N
XLogP1.14
TPSA120.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517503
N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101317
ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate
CID 90517480
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517663
N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517462
2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 90517531
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 90518053
2-(4-fluorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide
CID 90538725
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-(4-ethoxyphenoxy)ethyl]propanamide
CID 122278956
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 90517991
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 90538814
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050682

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide (CID 90517675) is N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide is CC(=O)NCCOc1ccc(NC(=O)C(C)n2nc(-n3cccn3)ccc2=O)cc1.
What is the InChIKey of N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The InChIKey is YTMQMZGZLWESJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-14(26-19(28)9-8-18(24-26)25-12-3-10-22-25)20(29)23-16-4-6-17(7-5-16)30-13-11-21-15(2)27/h3-10,12,14H,11,13H2,1-2H3,(H,21,27)(H,23,29).
What are the key properties of N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide has a molecular weight of 410.43 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 90517675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).