N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide

C13H14N4O3 — CID 105061449

IUPACN-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
SMILESCOc1ccc(=O)n(CC(=O)Nc2ccc(N)cc2)n1
InChIInChI=1S/C13H14N4O3/c1-20-12-6-7-13(19)17(16-12)8-11(18)15-10-4-2-9(14)3-5-10/h2-7H,8,14H2,1H3,(H,15,18)
InChIKeyMLHBNCCWTQVTFN-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.47
Rot. Bonds4

About N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide

N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide (PubChem CID 105061449) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
PubChem CID105061449
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
SMILESCOc1ccc(=O)n(CC(=O)Nc2ccc(N)cc2)n1
InChIInChI=1S/C13H14N4O3/c1-20-12-6-7-13(19)17(16-12)8-11(18)15-10-4-2-9(14)3-5-10/h2-7H,8,14H2,1H3,(H,15,18)
InChIKeyMLHBNCCWTQVTFN-UHFFFAOYSA-N
XLogP0.47
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061482
N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061492
2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 99841724
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121050334
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
ethyl 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7660081
6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide (CID 105061449) is N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide is COc1ccc(=O)n(CC(=O)Nc2ccc(N)cc2)n1.
What is the InChIKey of N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The InChIKey is MLHBNCCWTQVTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-20-12-6-7-13(19)17(16-12)8-11(18)15-10-4-2-9(14)3-5-10/h2-7H,8,14H2,1H3,(H,15,18).
What are the key properties of N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 105061449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).