N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C20H19N3O3 — CID 124615249

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C20H19N3O3/c24-14-18(16-9-5-2-6-10-16)21-19(25)13-23-20(26)12-11-17(22-23)15-7-3-1-4-8-15/h1-12,18,24H,13-14H2,(H,21,25)/t18-/m0/s1
InChIKeyJJCARGFBUNBDKJ-SFHVURJKSA-N
MW349.39 g/mol
LogP1.76
Rot. Bonds6

About N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 124615249) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID124615249
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C20H19N3O3/c24-14-18(16-9-5-2-6-10-16)21-19(25)13-23-20(26)12-11-17(22-23)15-7-3-1-4-8-15/h1-12,18,24H,13-14H2,(H,21,25)/t18-/m0/s1
InChIKeyJJCARGFBUNBDKJ-SFHVURJKSA-N
XLogP1.76
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124854962
3-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 56922525
methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
CID 91901510
N-(3-oxo-1-phenylbutan-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 75479453
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
(2S)-4-methylsulfanyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 51048855
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050431
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 52508691
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 124615249) is N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is JJCARGFBUNBDKJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-14-18(16-9-5-2-6-10-16)21-19(25)13-23-20(26)12-11-17(22-23)15-7-3-1-4-8-15/h1-12,18,24H,13-14H2,(H,21,25)/t18-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 124615249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).