N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide

C21H20N4O3 — CID 121033287

IUPACN-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H20N4O3/c26-19(15-23-21(28)17-9-5-2-6-10-17)22-13-14-25-20(27)12-11-18(24-25)16-7-3-1-4-8-16/h1-12H,13-15H2,(H,22,26)(H,23,28)
InChIKeyBJHGULVRZCKOKR-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.46
Rot. Bonds7

About N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide

N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide (PubChem CID 121033287) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
PubChem CID121033287
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H20N4O3/c26-19(15-23-21(28)17-9-5-2-6-10-17)22-13-14-25-20(27)12-11-18(24-25)16-7-3-1-4-8-16/h1-12H,13-15H2,(H,22,26)(H,23,28)
InChIKeyBJHGULVRZCKOKR-UHFFFAOYSA-N
XLogP1.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617
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-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856
2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033289
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 41240868
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 72905394
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131939523
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
4-morpholin-4-ylsulfonyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569629

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide (CID 121033287) is N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide?
The InChIKey is BJHGULVRZCKOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-19(15-23-21(28)17-9-5-2-6-10-17)22-13-14-25-20(27)12-11-18(24-25)16-7-3-1-4-8-16/h1-12H,13-15H2,(H,22,26)(H,23,28).
What are the key properties of N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide?
N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 121033287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).