N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C16H19N3O3 — CID 111429019

IUPACN-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC(O)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O3/c1-12(20)9-10-17-15(21)11-19-16(22)8-7-14(18-19)13-5-3-2-4-6-13/h2-8,12,20H,9-11H2,1H3,(H,17,21)
InChIKeyAGQKWTITOVVJMY-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.80
Rot. Bonds6

About N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 111429019) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID111429019
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC(O)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O3/c1-12(20)9-10-17-15(21)11-19-16(22)8-7-14(18-19)13-5-3-2-4-6-13/h2-8,12,20H,9-11H2,1H3,(H,17,21)
InChIKeyAGQKWTITOVVJMY-UHFFFAOYSA-N
XLogP0.80
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052709
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052463
3-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 56922525
N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050455
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
CID 91901510

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 111429019) is N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CC(O)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is AGQKWTITOVVJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12(20)9-10-17-15(21)11-19-16(22)8-7-14(18-19)13-5-3-2-4-6-13/h2-8,12,20H,9-11H2,1H3,(H,17,21).
What are the key properties of N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 111429019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).