2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide

C23H19N3O6 — CID 121050267

IUPAC2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc4ccccc4oc3=O)n2)cc1OC
InChIInChI=1S/C23H19N3O6/c1-30-19-9-7-14(12-20(19)31-2)16-8-10-22(28)26(25-16)13-21(27)24-17-11-15-5-3-4-6-18(15)32-23(17)29/h3-12H,13H2,1-2H3,(H,24,27)
InChIKeyXPAODYYPEADRHZ-UHFFFAOYSA-N
MW433.42 g/mol
LogP2.67
Rot. Bonds6

About 2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide

2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide (PubChem CID 121050267) has the molecular formula C23H19N3O6 and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide
PubChem CID121050267
Molecular FormulaC23H19N3O6
Molecular Weight433.42 g/mol
Exact Mass433.13
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc4ccccc4oc3=O)n2)cc1OC
InChIInChI=1S/C23H19N3O6/c1-30-19-9-7-14(12-20(19)31-2)16-8-10-22(28)26(25-16)13-21(27)24-17-11-15-5-3-4-6-18(15)32-23(17)29/h3-12H,13H2,1-2H3,(H,24,27)
InChIKeyXPAODYYPEADRHZ-UHFFFAOYSA-N
XLogP2.67
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-oxochromen-3-yl)acetamide
CID 121051465
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050271
N-(3,5-dichlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 41376369
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 41376359
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7659969
(2R)-2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 95394900
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 41376487
2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-2-phenylacetic acid
CID 53369781
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3224491
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 7666344
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 52899588

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide (CID 121050267) is 2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc4ccccc4oc3=O)n2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide?
The InChIKey is XPAODYYPEADRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O6/c1-30-19-9-7-14(12-20(19)31-2)16-8-10-22(28)26(25-16)13-21(27)24-17-11-15-5-3-4-6-18(15)32-23(17)29/h3-12H,13H2,1-2H3,(H,24,27).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide?
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide has a molecular weight of 433.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 121050267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).