2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide

C20H19N3O3 — CID 86816077

IUPAC2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESCc1cc(=O)c(CO)nn1CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-14-11-19(25)18(13-24)22-23(14)12-20(26)21-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-11,24H,12-13H2,1H3,(H,21,26)
InChIKeyPRYFSLCWQNXQLY-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.35
Rot. Bonds5

About 2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide

2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide (PubChem CID 86816077) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
PubChem CID86816077
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESCc1cc(=O)c(CO)nn1CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-14-11-19(25)18(13-24)22-23(14)12-20(26)21-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-11,24H,12-13H2,1H3,(H,21,26)
InChIKeyPRYFSLCWQNXQLY-UHFFFAOYSA-N
XLogP2.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylphenyl)acetamide
CID 16669411
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
CID 121052449
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 3224557
N-(2-phenylphenyl)-2-pyrazol-1-ylacetamide
CID 39723144
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzenesulfonyl fluoride
CID 116814136
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylphenyl)acetamide
CID 26566443
2-(3-methoxy-4-methylphenyl)-N-(2-phenylphenyl)acetamide
CID 17476881
N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110690077
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
N-(2-phenylphenyl)-2-(prop-2-ynylamino)acetamide
CID 18190564
2-(3-hydroxy-2-oxo-1-pyridinyl)-N-(2-phenylphenyl)acetamide
CID 66747259

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide (CID 86816077) is 2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide is Cc1cc(=O)c(CO)nn1CC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide?
The InChIKey is PRYFSLCWQNXQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-11-19(25)18(13-24)22-23(14)12-20(26)21-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-11,24H,12-13H2,1H3,(H,21,26).
What are the key properties of 2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide?
2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-6-methyl-4-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 86816077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).