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

C21H27N3O3 — CID 169318862

IUPACN-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCc1ccccc1-c1cc(=O)n(CC(=O)NC2CC(C)(O)C2)nc1C(C)C
InChIInChI=1S/C21H27N3O3/c1-13(2)20-17(16-8-6-5-7-14(16)3)9-19(26)24(23-20)12-18(25)22-15-10-21(4,27)11-15/h5-9,13,15,27H,10-12H2,1-4H3,(H,22,25)
InChIKeyKRLMTVDCJDZUKN-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.37
Rot. Bonds5

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

N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 169318862) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID169318862
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCc1ccccc1-c1cc(=O)n(CC(=O)NC2CC(C)(O)C2)nc1C(C)C
InChIInChI=1S/C21H27N3O3/c1-13(2)20-17(16-8-6-5-7-14(16)3)9-19(26)24(23-20)12-18(25)22-15-10-21(4,27)11-15/h5-9,13,15,27H,10-12H2,1-4H3,(H,22,25)
InChIKeyKRLMTVDCJDZUKN-UHFFFAOYSA-N
XLogP2.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 169318862) is N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is Cc1ccccc1-c1cc(=O)n(CC(=O)NC2CC(C)(O)C2)nc1C(C)C.
What is the InChIKey of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is KRLMTVDCJDZUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13(2)20-17(16-8-6-5-7-14(16)3)9-19(26)24(23-20)12-18(25)22-15-10-21(4,27)11-15/h5-9,13,15,27H,10-12H2,1-4H3,(H,22,25).
What are the key properties of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(2-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 169318862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).