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

C14H16N4O3 — CID 105061460

IUPACN-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
SMILESCOc1ccc(=O)n(CCC(=O)Nc2ccccc2N)n1
InChIInChI=1S/C14H16N4O3/c1-21-13-6-7-14(20)18(17-13)9-8-12(19)16-11-5-3-2-4-10(11)15/h2-7H,8-9,15H2,1H3,(H,16,19)
InChIKeyXGFWCSRSLAORFY-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.86
Rot. Bonds5

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

N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide (PubChem CID 105061460) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
PubChem CID105061460
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
SMILESCOc1ccc(=O)n(CCC(=O)Nc2ccccc2N)n1
InChIInChI=1S/C14H16N4O3/c1-21-13-6-7-14(20)18(17-13)9-8-12(19)16-11-5-3-2-4-10(11)15/h2-7H,8-9,15H2,1H3,(H,16,19)
InChIKeyXGFWCSRSLAORFY-UHFFFAOYSA-N
XLogP0.86
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061492
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 16790022
N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130518
2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061482
N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide
CID 11971553
N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061449
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide
CID 61346705
N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
CID 43627652
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide (CID 105061460) is N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide is COc1ccc(=O)n(CCC(=O)Nc2ccccc2N)n1.
What is the InChIKey of N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
The InChIKey is XGFWCSRSLAORFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-21-13-6-7-14(20)18(17-13)9-8-12(19)16-11-5-3-2-4-10(11)15/h2-7H,8-9,15H2,1H3,(H,16,19).
What are the key properties of N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide?
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide has a molecular weight of 288.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 105061460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).