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

C20H24ClN3O2 — CID 170368427

IUPAC2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide
SMILESCC1CC(NC(=O)Cn2nc(C(C)C)c(-c3ccccc3Cl)cc2=O)C1
InChIInChI=1S/C20H24ClN3O2/c1-12(2)20-16(15-6-4-5-7-17(15)21)10-19(26)24(23-20)11-18(25)22-14-8-13(3)9-14/h4-7,10,12-14H,8-9,11H2,1-3H3,(H,22,25)
InChIKeyKQXGTAKEIOXXQO-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.60
Rot. Bonds5

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

2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide (PubChem CID 170368427) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide
PubChem CID170368427
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide
SMILESCC1CC(NC(=O)Cn2nc(C(C)C)c(-c3ccccc3Cl)cc2=O)C1
InChIInChI=1S/C20H24ClN3O2/c1-12(2)20-16(15-6-4-5-7-17(15)21)10-19(26)24(23-20)11-18(25)22-14-8-13(3)9-14/h4-7,10,12-14H,8-9,11H2,1-3H3,(H,22,25)
InChIKeyKQXGTAKEIOXXQO-UHFFFAOYSA-N
XLogP3.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide (CID 170368427) is 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide is CC1CC(NC(=O)Cn2nc(C(C)C)c(-c3ccccc3Cl)cc2=O)C1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide?
The InChIKey is KQXGTAKEIOXXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-12(2)20-16(15-6-4-5-7-17(15)21)10-19(26)24(23-20)11-18(25)22-14-8-13(3)9-14/h4-7,10,12-14H,8-9,11H2,1-3H3,(H,22,25).
What are the key properties of 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide?
2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide has a molecular weight of 373.88 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide is sourced from PubChem (CID 170368427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).