3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide

C22H22ClN3O2 — CID 51366175

IUPAC3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
SMILESO=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)NCCCc1ccccc1
InChIInChI=1S/C22H22ClN3O2/c23-19-10-4-9-18(16-19)20-11-12-22(28)26(25-20)15-13-21(27)24-14-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,16H,5,8,13-15H2,(H,24,27)
InChIKeyPVWACGNLWHRHME-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.70
Rot. Bonds8

About 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide

3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide (PubChem CID 51366175) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
PubChem CID51366175
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
SMILESO=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)NCCCc1ccccc1
InChIInChI=1S/C22H22ClN3O2/c23-19-10-4-9-18(16-19)20-11-12-22(28)26(25-20)15-13-21(27)24-14-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,16H,5,8,13-15H2,(H,24,27)
InChIKeyPVWACGNLWHRHME-UHFFFAOYSA-N
XLogP3.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 5156985
3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 51366097
3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 51366165
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 121051243
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
3-(6-oxo-3-phenylpyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 51366020
3-(3-chlorophenyl)-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]propanamide
CID 122246339
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 3617292
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-ethoxypropyl)propanamide
CID 5046319
N-[2-(azepan-1-ium-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3432245

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide (CID 51366175) is 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide is O=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)NCCCc1ccccc1.
What is the InChIKey of 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
The InChIKey is PVWACGNLWHRHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-19-10-4-9-18(16-19)20-11-12-22(28)26(25-20)15-13-21(27)24-14-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,16H,5,8,13-15H2,(H,24,27).
What are the key properties of 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide has a molecular weight of 395.89 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 51366175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).