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

C21H27N3O4 — CID 162432300

IUPACN-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCOc1cccc(-c2cc(=O)n(CC(=O)NC3CC(C)(O)C3)nc2C(C)C)c1
InChIInChI=1S/C21H27N3O4/c1-13(2)20-17(14-6-5-7-16(8-14)28-4)9-19(26)24(23-20)12-18(25)22-15-10-21(3,27)11-15/h5-9,13,15,27H,10-12H2,1-4H3,(H,22,25)
InChIKeyWDDRAIKKDOWYJK-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.07
Rot. Bonds6

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

N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 162432300) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID162432300
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCOc1cccc(-c2cc(=O)n(CC(=O)NC3CC(C)(O)C3)nc2C(C)C)c1
InChIInChI=1S/C21H27N3O4/c1-13(2)20-17(14-6-5-7-16(8-14)28-4)9-19(26)24(23-20)12-18(25)22-15-10-21(3,27)11-15/h5-9,13,15,27H,10-12H2,1-4H3,(H,22,25)
InChIKeyWDDRAIKKDOWYJK-UHFFFAOYSA-N
XLogP2.07
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 162432300) is N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is COc1cccc(-c2cc(=O)n(CC(=O)NC3CC(C)(O)C3)nc2C(C)C)c1.
What is the InChIKey of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is WDDRAIKKDOWYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-13(2)20-17(14-6-5-7-16(8-14)28-4)9-19(26)24(23-20)12-18(25)22-15-10-21(3,27)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-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-(3-methoxyphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 162432300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).