3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide

C23H24ClN3O2 — CID 51366165

IUPAC3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)CCn2nc(-c3cccc(Cl)c3)ccc2=O)cc1
InChIInChI=1S/C23H24ClN3O2/c1-16(2)18-8-6-17(7-9-18)15-25-22(28)12-13-27-23(29)11-10-21(26-27)19-4-3-5-20(24)14-19/h3-11,14,16H,12-13,15H2,1-2H3,(H,25,28)
InChIKeyQASDVOGHBPVJNK-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.39
Rot. Bonds7

About 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide

3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 51366165) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID51366165
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)CCn2nc(-c3cccc(Cl)c3)ccc2=O)cc1
InChIInChI=1S/C23H24ClN3O2/c1-16(2)18-8-6-17(7-9-18)15-25-22(28)12-13-27-23(29)11-10-21(26-27)19-4-3-5-20(24)14-19/h3-11,14,16H,12-13,15H2,1-2H3,(H,25,28)
InChIKeyQASDVOGHBPVJNK-UHFFFAOYSA-N
XLogP4.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 51366165) is 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(C)c1ccc(CNC(=O)CCn2nc(-c3cccc(Cl)c3)ccc2=O)cc1.
What is the InChIKey of 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is QASDVOGHBPVJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-16(2)18-8-6-17(7-9-18)15-25-22(28)12-13-27-23(29)11-10-21(26-27)19-4-3-5-20(24)14-19/h3-11,14,16H,12-13,15H2,1-2H3,(H,25,28).
What are the key properties of 3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 409.92 g/mol, XLogP of 4.39, 7 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-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 51366165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).