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

C24H31ClN4O2 — CID 169318871

IUPAC2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-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-/m0/s1
InChIKeyRDHNDJOVTJKEOL-IBGZPJMESA-N
MW442.99 g/mol
LogP3.82
Rot. Bonds6

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

2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-1-cyclobutylpiperidin-3-yl]acetamide (PubChem CID 169318871) 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-[(3S)-1-cyclobutylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-1-cyclobutylpiperidin-3-yl]acetamide
PubChem CID169318871
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-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-/m0/s1
InChIKeyRDHNDJOVTJKEOL-IBGZPJMESA-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

Analyze 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-1-cyclobutylpiperidin-3-yl]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-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-1-cyclobutylpiperidin-3-yl]acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-1-cyclobutylpiperidin-3-yl]acetamide (CID 169318871) is 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-1-cyclobutylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-1-cyclobutylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-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-[(3S)-1-cyclobutylpiperidin-3-yl]acetamide?
The InChIKey is RDHNDJOVTJKEOL-IBGZPJMESA-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-/m0/s1.
What are the key properties of 2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-1-cyclobutylpiperidin-3-yl]acetamide?
2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3S)-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-[(3S)-1-cyclobutylpiperidin-3-yl]acetamide is sourced from PubChem (CID 169318871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).