2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide

C20H19ClN4O3 — CID 42144019

IUPAC2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C20H19ClN4O3/c21-16-2-4-17(5-3-16)28-14-19(26)23-10-1-13-25-20(27)7-6-18(24-25)15-8-11-22-12-9-15/h2-9,11-12H,1,10,13-14H2,(H,23,26)
InChIKeyAKTMVNIFFFXFCO-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.54
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide

2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide (PubChem CID 42144019) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide
PubChem CID42144019
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C20H19ClN4O3/c21-16-2-4-17(5-3-16)28-14-19(26)23-10-1-13-25-20(27)7-6-18(24-25)15-8-11-22-12-9-15/h2-9,11-12H,1,10,13-14H2,(H,23,26)
InChIKeyAKTMVNIFFFXFCO-UHFFFAOYSA-N
XLogP2.54
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide (CID 42144019) is 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2ccncc2)ccc1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide?
The InChIKey is AKTMVNIFFFXFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-16-2-4-17(5-3-16)28-14-19(26)23-10-1-13-25-20(27)7-6-18(24-25)15-8-11-22-12-9-15/h2-9,11-12H,1,10,13-14H2,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide?
2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide has a molecular weight of 398.85 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]acetamide is sourced from PubChem (CID 42144019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).