3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide

C21H21N3O2 — CID 18569617

IUPAC3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)c1
InChIInChI=1S/C21H21N3O2/c1-15-12-16(2)14-18(13-15)21(26)22-10-11-24-20(25)9-8-19(23-24)17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H,22,26)
InChIKeyPOWVBINZGAFCEK-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.96
Rot. Bonds5

About 3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide

3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide (PubChem CID 18569617) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
PubChem CID18569617
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)c1
InChIInChI=1S/C21H21N3O2/c1-15-12-16(2)14-18(13-15)21(26)22-10-11-24-20(25)9-8-19(23-24)17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H,22,26)
InChIKeyPOWVBINZGAFCEK-UHFFFAOYSA-N
XLogP2.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856
3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 41240868
N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
CID 121033287
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241318
3-methyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 154565546
1-benzyl-3-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]ethyl]urea
CID 42109840
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
2,4,6-trimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 18569765
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
CID 121033316
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 18569716
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylbenzoyl)benzamide
CID 121033526

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide (CID 18569617) is 3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide is Cc1cc(C)cc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
The InChIKey is POWVBINZGAFCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-12-16(2)14-18(13-15)21(26)22-10-11-24-20(25)9-8-19(23-24)17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H,22,26).
What are the key properties of 3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 18569617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).