2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide

C24H31ClN4O2 — CID 169318875

IUPAC2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide
SMILESCC(C)c1nn(CC(=O)N[C@@H]2CCCN(C3CCC3)C2)c(=O)cc1-c1cccc(Cl)c1
InChIInChI=1S/C24H31ClN4O2/c1-16(2)24-21(17-6-3-7-18(25)12-17)13-23(31)29(27-24)15-22(30)26-19-8-5-11-28(14-19)20-9-4-10-20/h3,6-7,12-13,16,19-20H,4-5,8-11,14-15H2,1-2H3,(H,26,30)/t19-/m1/s1
InChIKeyRDHNDJOVTJKEOL-LJQANCHMSA-N
MW442.99 g/mol
LogP3.82
Rot. Bonds6

About 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide

2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide (PubChem CID 169318875) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide
PubChem CID169318875
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide
SMILESCC(C)c1nn(CC(=O)N[C@@H]2CCCN(C3CCC3)C2)c(=O)cc1-c1cccc(Cl)c1
InChIInChI=1S/C24H31ClN4O2/c1-16(2)24-21(17-6-3-7-18(25)12-17)13-23(31)29(27-24)15-22(30)26-19-8-5-11-28(14-19)20-9-4-10-20/h3,6-7,12-13,16,19-20H,4-5,8-11,14-15H2,1-2H3,(H,26,30)/t19-/m1/s1
InChIKeyRDHNDJOVTJKEOL-LJQANCHMSA-N
XLogP3.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3237638
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3244753
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 3236867
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3237659
2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 3238346
2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 3242590
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3244063
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3245894
6-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyridazin-3(2H)-one
CID 4422501
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(2-phenylethyl)acetamide
CID 4423410
N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 5099383
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide
CID 3245133

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide (CID 169318875) is 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide is CC(C)c1nn(CC(=O)N[C@@H]2CCCN(C3CCC3)C2)c(=O)cc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide?
The InChIKey is RDHNDJOVTJKEOL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31ClN4O2/c1-16(2)24-21(17-6-3-7-18(25)12-17)13-23(31)29(27-24)15-22(30)26-19-8-5-11-28(14-19)20-9-4-10-20/h3,6-7,12-13,16,19-20H,4-5,8-11,14-15H2,1-2H3,(H,26,30)/t19-/m1/s1.
What are the key properties of 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide?
2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide has a molecular weight of 442.99 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-cyclobutylpiperidin-3-yl]acetamide is sourced from PubChem (CID 169318875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).