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

C20H21N3O4 — CID 121076062

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)C(C)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C20H21N3O4/c1-14(20(25)21-12-11-15-6-3-4-7-17(15)26-2)23-19(24)10-9-16(22-23)18-8-5-13-27-18/h3-10,13-14H,11-12H2,1-2H3,(H,21,25)
InChIKeyJINYVGOHCGEEBG-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.43
Rot. Bonds7

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

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 121076062) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID121076062
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)C(C)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C20H21N3O4/c1-14(20(25)21-12-11-15-6-3-4-7-17(15)26-2)23-19(24)10-9-16(22-23)18-8-5-13-27-18/h3-10,13-14H,11-12H2,1-2H3,(H,21,25)
InChIKeyJINYVGOHCGEEBG-UHFFFAOYSA-N
XLogP2.43
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3-methoxyphenyl)propanamide
CID 121075999
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 56723989
(2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 52906560
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
6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31866868
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propanamide
CID 90547207
N-(1,3-benzothiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076019
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076220
N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076032
N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 121076093

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 121076062) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)C(C)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is JINYVGOHCGEEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(20(25)21-12-11-15-6-3-4-7-17(15)26-2)23-19(24)10-9-16(22-23)18-8-5-13-27-18/h3-10,13-14H,11-12H2,1-2H3,(H,21,25).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.43, 7 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-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 121076062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).