N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide

C21H23N3O5 — CID 121034335

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide
SMILESCOc1cc(C)ccc1OC(C)C(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C21H23N3O5/c1-14-6-8-18(19(13-14)27-3)29-15(2)21(26)22-10-11-24-20(25)9-7-16(23-24)17-5-4-12-28-17/h4-9,12-13,15H,10-11H2,1-3H3,(H,22,26)
InChIKeyFBDVTGNQUKVYBX-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.40
Rot. Bonds8

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide (PubChem CID 121034335) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide
PubChem CID121034335
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide
SMILESCOc1cc(C)ccc1OC(C)C(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C21H23N3O5/c1-14-6-8-18(19(13-14)27-3)29-15(2)21(26)22-10-11-24-20(25)9-7-16(23-24)17-5-4-12-28-17/h4-9,12-13,15H,10-11H2,1-3H3,(H,22,26)
InChIKeyFBDVTGNQUKVYBX-UHFFFAOYSA-N
XLogP2.40
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905538
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide
CID 122277868
N-(2,5-dimethoxyphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7658294
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 121034366
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 121034447
2-ethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905515
2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538738
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 121076062
3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905482
2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide
CID 121058977
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121034357

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide (CID 121034335) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide is COc1cc(C)ccc1OC(C)C(=O)NCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide?
The InChIKey is FBDVTGNQUKVYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-14-6-8-18(19(13-14)27-3)29-15(2)21(26)22-10-11-24-20(25)9-7-16(23-24)17-5-4-12-28-17/h4-9,12-13,15H,10-11H2,1-3H3,(H,22,26).
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide has a molecular weight of 397.43 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide is sourced from PubChem (CID 121034335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).