methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate

C24H19N3O4 — CID 7664191

IUPACmethyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1
InChIInChI=1S/C24H19N3O4/c1-31-24(30)17-8-10-20(11-9-17)25-22(28)15-27-23(29)13-12-21(26-27)19-7-6-16-4-2-3-5-18(16)14-19/h2-14H,15H2,1H3,(H,25,28)
InChIKeyWRKLNRDVCIGJJV-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.49
Rot. Bonds5

About methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate

methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate (PubChem CID 7664191) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
PubChem CID7664191
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Namemethyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1
InChIInChI=1S/C24H19N3O4/c1-31-24(30)17-8-10-20(11-9-17)25-22(28)15-27-23(29)13-12-21(26-27)19-7-6-16-4-2-3-5-18(16)14-19/h2-14H,15H2,1H3,(H,25,28)
InChIKeyWRKLNRDVCIGJJV-UHFFFAOYSA-N
XLogP3.49
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7660081
N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 52901306
N-naphthalen-1-yl-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 8699032
ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
CID 41376478
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093
ethyl 4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 41376352
methyl 4-[[2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7672095
ethyl 4-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7662139
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 41376487
ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 121051376
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 51048661

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate (CID 7664191) is methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1.
What is the InChIKey of methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate?
The InChIKey is WRKLNRDVCIGJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-31-24(30)17-8-10-20(11-9-17)25-22(28)15-27-23(29)13-12-21(26-27)19-7-6-16-4-2-3-5-18(16)14-19/h2-14H,15H2,1H3,(H,25,28).
What are the key properties of methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate?
methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate has a molecular weight of 413.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 7664191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).