2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide

C25H17N3O4 — CID 121051465

IUPAC2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide
SMILESO=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1cc2ccccc2oc1=O
InChIInChI=1S/C25H17N3O4/c29-23(26-21-14-19-7-3-4-8-22(19)32-25(21)31)15-28-24(30)12-11-20(27-28)18-10-9-16-5-1-2-6-17(16)13-18/h1-14H,15H2,(H,26,29)
InChIKeyIQEFBHMHEIYNGO-UHFFFAOYSA-N
MW423.43 g/mol
LogP3.81
Rot. Bonds4

About 2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide

2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide (PubChem CID 121051465) has the molecular formula C25H17N3O4 and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide
PubChem CID121051465
Molecular FormulaC25H17N3O4
Molecular Weight423.43 g/mol
Exact Mass423.12
IUPAC Name2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide
SMILESO=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1cc2ccccc2oc1=O
InChIInChI=1S/C25H17N3O4/c29-23(26-21-14-19-7-3-4-8-22(19)32-25(21)31)15-28-24(30)12-11-20(27-28)18-10-9-16-5-1-2-6-17(16)13-18/h1-14H,15H2,(H,26,29)
InChIKeyIQEFBHMHEIYNGO-UHFFFAOYSA-N
XLogP3.81
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide
CID 121050267
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
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-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7664292
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 41376487
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
N-[(2,6-difluorophenyl)methyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 121051414
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 121051486
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865
ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 121051376

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide?
The IUPAC name of 2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide (CID 121051465) is 2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide.
What is the SMILES notation for 2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide?
The canonical SMILES for 2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide is O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1cc2ccccc2oc1=O.
What is the InChIKey of 2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide?
The InChIKey is IQEFBHMHEIYNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O4/c29-23(26-21-14-19-7-3-4-8-22(19)32-25(21)31)15-28-24(30)12-11-20(27-28)18-10-9-16-5-1-2-6-17(16)13-18/h1-14H,15H2,(H,26,29).
What are the key properties of 2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide?
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide has a molecular weight of 423.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 121051465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).