N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C20H21N3O3 — CID 56643056

IUPACN-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCCc3ccco3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-15-6-8-16(9-7-15)18-10-11-20(25)23(22-18)14-19(24)21-12-2-4-17-5-3-13-26-17/h3,5-11,13H,2,4,12,14H2,1H3,(H,21,24)
InChIKeyVBFRVBNCHGUTJK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.56
Rot. Bonds7

About N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 56643056) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID56643056
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCCc3ccco3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-15-6-8-16(9-7-15)18-10-11-20(25)23(22-18)14-19(24)21-12-2-4-17-5-3-13-26-17/h3,5-11,13H,2,4,12,14H2,1H3,(H,21,24)
InChIKeyVBFRVBNCHGUTJK-UHFFFAOYSA-N
XLogP2.56
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 5099385
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-[3-(furan-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 53283761
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide
CID 131951454
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 4582591
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121050686
N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 56643063
N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 4582584
N-[3-[benzyl(butyl)amino]propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 20968334
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050625
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 56643056) is N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCCCc3ccco3)n2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is VBFRVBNCHGUTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15-6-8-16(9-7-15)18-10-11-20(25)23(22-18)14-19(24)21-12-2-4-17-5-3-13-26-17/h3,5-11,13H,2,4,12,14H2,1H3,(H,21,24).
What are the key properties of N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 56643056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).