3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide

C21H23N3O5 — CID 16905538

IUPAC3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1OCC
InChIInChI=1S/C21H23N3O5/c1-3-27-18-9-7-15(14-19(18)28-4-2)21(26)22-11-12-24-20(25)10-8-16(23-24)17-6-5-13-29-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,26)
InChIKeyRVPXLJHPCYCMAF-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.73
Rot. Bonds9

About 3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide

3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide (PubChem CID 16905538) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
PubChem CID16905538
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1OCC
InChIInChI=1S/C21H23N3O5/c1-3-27-18-9-7-15(14-19(18)28-4-2)21(26)22-11-12-24-20(25)10-8-16(23-24)17-6-5-13-29-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,26)
InChIKeyRVPXLJHPCYCMAF-UHFFFAOYSA-N
XLogP2.73
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905515
3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 41240868
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-3,4-diethoxybenzamide
CID 41241080
3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905482
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide
CID 121034403
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 16905486
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121034357
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide
CID 121034335
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 121034366
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methoxybenzamide
CID 41241118
3-bromo-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 41241203

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide (CID 16905538) is 3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide is CCOc1ccc(C(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide?
The InChIKey is RVPXLJHPCYCMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-3-27-18-9-7-15(14-19(18)28-4-2)21(26)22-11-12-24-20(25)10-8-16(23-24)17-6-5-13-29-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,26).
What are the key properties of 3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide?
3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide has a molecular weight of 397.43 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 16905538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).