2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide

C18H17N3O4 — CID 121075999

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)C(C)n2nc(-c3ccco3)ccc2=O)c1
InChIInChI=1S/C18H17N3O4/c1-12(18(23)19-13-5-3-6-14(11-13)24-2)21-17(22)9-8-15(20-21)16-7-4-10-25-16/h3-12H,1-2H3,(H,19,23)
InChIKeyCDCXCNQDINBXEF-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.71
Rot. Bonds5

About 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 121075999) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID121075999
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)C(C)n2nc(-c3ccco3)ccc2=O)c1
InChIInChI=1S/C18H17N3O4/c1-12(18(23)19-13-5-3-6-14(11-13)24-2)21-17(22)9-8-15(20-21)16-7-4-10-25-16/h3-12H,1-2H3,(H,19,23)
InChIKeyCDCXCNQDINBXEF-UHFFFAOYSA-N
XLogP2.71
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076032
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076031
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
CID 121076102
N-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 142338864
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide
CID 121076227
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 90517885
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 121076062
(2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 52906560
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)propanamide
CID 90545020
N-(1,3-benzothiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076019

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide (CID 121075999) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)C(C)n2nc(-c3ccco3)ccc2=O)c1.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is CDCXCNQDINBXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12(18(23)19-13-5-3-6-14(11-13)24-2)21-17(22)9-8-15(20-21)16-7-4-10-25-16/h3-12H,1-2H3,(H,19,23).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 339.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 121075999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).