1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide

C24H21N5O3 — CID 121033347

IUPAC1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C24H21N5O3/c30-22-13-11-20(19-9-5-2-6-10-19)26-28(22)16-15-25-24(32)21-12-14-23(31)29(27-21)17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,25,32)
InChIKeyDEQLYQXZDKFNEC-UHFFFAOYSA-N
MW427.46 g/mol
LogP1.95
Rot. Bonds7

About 1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide

1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 121033347) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
PubChem CID121033347
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C24H21N5O3/c30-22-13-11-20(19-9-5-2-6-10-19)26-28(22)16-15-25-24(32)21-12-14-23(31)29(27-21)17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,25,32)
InChIKeyDEQLYQXZDKFNEC-UHFFFAOYSA-N
XLogP1.95
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]quinoline-2-carboxamide
CID 18569760
1-benzyl-6-oxo-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 35864486
N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
CID 121033287
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856
1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide
CID 38857490
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
CID 121033316
1-[(4-methylphenyl)methyl]-6-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121066688

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide (CID 121033347) is 1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide is O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is DEQLYQXZDKFNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c30-22-13-11-20(19-9-5-2-6-10-19)26-28(22)16-15-25-24(32)21-12-14-23(31)29(27-21)17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,25,32).
What are the key properties of 1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide?
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121033347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).