2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide

C21H23N3O4 — CID 46381662

IUPAC2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide
SMILESCc1ccc(-n2nc(OC(C)C(=O)NCCc3ccco3)ccc2=O)cc1C
InChIInChI=1S/C21H23N3O4/c1-14-6-7-17(13-15(14)2)24-20(25)9-8-19(23-24)28-16(3)21(26)22-11-10-18-5-4-12-27-18/h4-9,12-13,16H,10-11H2,1-3H3,(H,22,26)
InChIKeyZCGRCARNDSRBIQ-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.57
Rot. Bonds7

About 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide

2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide (PubChem CID 46381662) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide
PubChem CID46381662
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide
SMILESCc1ccc(-n2nc(OC(C)C(=O)NCCc3ccco3)ccc2=O)cc1C
InChIInChI=1S/C21H23N3O4/c1-14-6-7-17(13-15(14)2)24-20(25)9-8-19(23-24)28-16(3)21(26)22-11-10-18-5-4-12-27-18/h4-9,12-13,16H,10-11H2,1-3H3,(H,22,26)
InChIKeyZCGRCARNDSRBIQ-UHFFFAOYSA-N
XLogP2.57
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 46381615
(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92881062
(2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide
CID 92881972
ethyl 4-[[(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92881002
N-(2-chloro-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381627
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880959
N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide
CID 53283656
N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
CID 46381586
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880865
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
N-[3-(furan-2-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 53286312
N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 102552868

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide (CID 46381662) is 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide is Cc1ccc(-n2nc(OC(C)C(=O)NCCc3ccco3)ccc2=O)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide?
The InChIKey is ZCGRCARNDSRBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-6-7-17(13-15(14)2)24-20(25)9-8-19(23-24)28-16(3)21(26)22-11-10-18-5-4-12-27-18/h4-9,12-13,16H,10-11H2,1-3H3,(H,22,26).
What are the key properties of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide?
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide has a molecular weight of 381.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 46381662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).