N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide

C21H19N7O3 — CID 90517413

IUPACN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-n2cccn2)ccc1=O)NCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H19N7O3/c29-19(15-28-21(31)10-8-18(25-28)26-13-4-11-23-26)22-12-14-27-20(30)9-7-17(24-27)16-5-2-1-3-6-16/h1-11,13H,12,14-15H2,(H,22,29)
InChIKeyMXPXBQCOTWIOKX-UHFFFAOYSA-N
MW417.43 g/mol
LogP0.47
Rot. Bonds7

About N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide

N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (PubChem CID 90517413) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
PubChem CID90517413
Molecular FormulaC21H19N7O3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-n2cccn2)ccc1=O)NCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H19N7O3/c29-19(15-28-21(31)10-8-18(25-28)26-13-4-11-23-26)22-12-14-27-20(30)9-7-17(24-27)16-5-2-1-3-6-16/h1-11,13H,12,14-15H2,(H,22,29)
InChIKeyMXPXBQCOTWIOKX-UHFFFAOYSA-N
XLogP0.47
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517415
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
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-4-ylpyridazin-1-yl)acetamide
CID 121052709
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 72905394
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052463
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71790801
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538756

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (CID 90517413) is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-n2cccn2)ccc1=O)NCCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
The InChIKey is MXPXBQCOTWIOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c29-19(15-28-21(31)10-8-18(25-28)26-13-4-11-23-26)22-12-14-27-20(30)9-7-17(24-27)16-5-2-1-3-6-16/h1-11,13H,12,14-15H2,(H,22,29).
What are the key properties of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide has a molecular weight of 417.43 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 90517413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).