N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide

C13H13FN4O3 — CID 105061482

IUPACN-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
SMILESCOc1ccc(=O)n(CC(=O)Nc2cc(N)ccc2F)n1
InChIInChI=1S/C13H13FN4O3/c1-21-12-4-5-13(20)18(17-12)7-11(19)16-10-6-8(15)2-3-9(10)14/h2-6H,7,15H2,1H3,(H,16,19)
InChIKeyAASPDRTWDUBVOF-UHFFFAOYSA-N
MW292.27 g/mol
LogP0.61
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide

N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide (PubChem CID 105061482) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
PubChem CID105061482
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
SMILESCOc1ccc(=O)n(CC(=O)Nc2cc(N)ccc2F)n1
InChIInChI=1S/C13H13FN4O3/c1-21-12-4-5-13(20)18(17-12)7-11(19)16-10-6-8(15)2-3-9(10)14/h2-6H,7,15H2,1H3,(H,16,19)
InChIKeyAASPDRTWDUBVOF-UHFFFAOYSA-N
XLogP0.61
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-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

N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061492
N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061449
N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 62129491
N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 55237811
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
N-(2,5-difluorophenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051849
N-(5-amino-2-fluorophenyl)-2-(2,6-dioxopiperidin-1-yl)acetamide
CID 43447518
2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 99841724
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate
CID 43617946
N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 99790816
N-(2,4-dichlorophenyl)-2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51054773

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide (CID 105061482) is N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide is COc1ccc(=O)n(CC(=O)Nc2cc(N)ccc2F)n1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
The InChIKey is AASPDRTWDUBVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c1-21-12-4-5-13(20)18(17-12)7-11(19)16-10-6-8(15)2-3-9(10)14/h2-6H,7,15H2,1H3,(H,16,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide?
N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide has a molecular weight of 292.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 105061482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).