ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate

C25H21N3O4 — CID 41376478

IUPACethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O
InChIInChI=1S/C25H21N3O4/c1-2-32-25(31)20-9-5-6-10-22(20)26-23(29)16-28-24(30)14-13-21(27-28)19-12-11-17-7-3-4-8-18(17)15-19/h3-15H,2,16H2,1H3,(H,26,29)
InChIKeyUQTHECCFMWZXKV-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.88
Rot. Bonds6

About ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate

ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate (PubChem CID 41376478) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
PubChem CID41376478
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Nameethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O
InChIInChI=1S/C25H21N3O4/c1-2-32-25(31)20-9-5-6-10-22(20)26-23(29)16-28-24(30)14-13-21(27-28)19-12-11-17-7-3-4-8-18(17)15-19/h3-15H,2,16H2,1H3,(H,26,29)
InChIKeyUQTHECCFMWZXKV-UHFFFAOYSA-N
XLogP3.88
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 121051376
N-naphthalen-1-yl-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 8699032
methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
CID 7664191
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide
CID 121051465
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 41376487
ethyl 2-[[2-[6-(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetyl]amino]benzoate
CID 50843749
N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 52901306
3-methyl-2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]butanoic acid
CID 53368098
ethyl 2-[[2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetyl]amino]benzoate
CID 30935895
ethyl 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7660081
N-ethyl-N-(2-methylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 121051397
ethyl 2-(propanoylamino)benzoate
CID 4190428

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate (CID 41376478) is ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O.
What is the InChIKey of ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate?
The InChIKey is UQTHECCFMWZXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-2-32-25(31)20-9-5-6-10-22(20)26-23(29)16-28-24(30)14-13-21(27-28)19-12-11-17-7-3-4-8-18(17)15-19/h3-15H,2,16H2,1H3,(H,26,29).
What are the key properties of ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate?
ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate has a molecular weight of 427.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 41376478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).