2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide

C21H21N3O2 — CID 5070704

IUPAC2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-7-9-18(10-8-16)19-11-12-21(26)24(23-19)15-20(25)22-14-13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,22,25)
InChIKeyVQUJWOQCTZQJTD-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.58
Rot. Bonds6

About 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 5070704) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID5070704
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-7-9-18(10-8-16)19-11-12-21(26)24(23-19)15-20(25)22-14-13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,22,25)
InChIKeyVQUJWOQCTZQJTD-UHFFFAOYSA-N
XLogP2.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
N-benzyl-3-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 2810676
2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
2-[(2Z)-2-(1-methyl-3-phenylpropylidene)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 6387008
2-(2-Oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 5057198
N-Methyl-2-(1-oxo-4-p-tolyl-1H-phthalazin-2-yl)-acetamide
CID 714735
2-(cyclohexylamino)-N'-(diphenylmethylene)acetohydrazide
CID 1479790
N-(4-fluorobenzyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3295263
2-(cyclohexylamino)-N-[(diphenylmethylene)amino]propanamide
CID 3700372
N-(4-fluorobenzyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 4582595
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2-phenylacetamide
CID 5900961

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (CID 5070704) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is VQUJWOQCTZQJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-7-9-18(10-8-16)19-11-12-21(26)24(23-19)15-20(25)22-14-13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,22,25).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 5070704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).