2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C17H18ClN3O3 — CID 3665845

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCC1CCCO1
InChIInChI=1S/C17H18ClN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-8,14H,1-2,9-11H2,(H,19,22)
InChIKeyURIKOFYVCQVYMV-UHFFFAOYSA-N
MW347.80 g/mol
LogP1.86
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3665845) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3665845
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCC1CCCO1
InChIInChI=1S/C17H18ClN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-8,14H,1-2,9-11H2,(H,19,22)
InChIKeyURIKOFYVCQVYMV-UHFFFAOYSA-N
XLogP1.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide 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-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 2937149
2-[3-(4-Chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-[1,4]dioxan-2-ylmethyl-acetamide
CID 24792340
2-[3-(4-Chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[2-(morpholin-4-YL)ethyl]acetamide
CID 4422325
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(2-phenylethyl)acetamide
CID 4423410
N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053348
2-[3-(3-Chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-[1,4]dioxan-2-ylmethyl-acetamide
CID 24981338
2-[2-(3-chlorobenzylidene)hydrazino]-2-oxo-N-(tetrahydro-2-furanylmethyl)acetamide
CID 5336011
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(2-methoxyethyl)propanamide
CID 3244988
2-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 18584222
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-cyclopentylacetamide
CID 5072304
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[3-(propan-2-yloxy)propyl]acetamide
CID 15997936
N-(4-chlorophenethyl)-2-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 15997940

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 3665845) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCC1CCCO1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is URIKOFYVCQVYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-8,14H,1-2,9-11H2,(H,19,22).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 347.80 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3665845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).