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

C20H21N3O4 — CID 16905512

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-26-16-7-4-15(5-8-16)6-10-19(24)21-12-13-23-20(25)11-9-17(22-23)18-3-2-14-27-18/h2-5,7-9,11,14H,6,10,12-13H2,1H3,(H,21,24)
InChIKeyJTYLSSZRXCEPSO-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.26
Rot. Bonds8

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

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 16905512) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID16905512
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-26-16-7-4-15(5-8-16)6-10-19(24)21-12-13-23-20(25)11-9-17(22-23)18-3-2-14-27-18/h2-5,7-9,11,14H,6,10,12-13H2,1H3,(H,21,24)
InChIKeyJTYLSSZRXCEPSO-UHFFFAOYSA-N
XLogP2.26
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Furan-2-yl-N-[2-(4-methoxy-phenyl)-ethyl]-acrylamide
CID 963760
5-(4-methoxyphenyl)-3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2960511
N-{2-[2-(2-furylmethylene)hydrazino]-2-oxoethyl}-3-phenylacrylamide
CID 5333643
N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide
CID 6888502
3-(4-butoxyphenyl)-N-[(E)-furan-2-ylmethylideneamino]propanamide
CID 6889021
2-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9611294
N-({N'-[(1E)-1-(4-Methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)furan-2-carboxamide
CID 9621408
N-[1-Furan-2-yl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3,4-dimethoxy-benzamide
CID 9626106
N-{2-[2-(2-furylmethylene)hydrazino]-1-methyl-2-oxoethyl}benzamide
CID 9642248
3-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9677979
N-(1-{[2-(2-furylmethylene)hydrazino]carbonyl}-3-methylbutyl)benzamide
CID 9602528
(2Z)-3-(2-furyl)-N-(2-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-2-oxoethyl)acrylamide
CID 5808227

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide (CID 16905512) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is JTYLSSZRXCEPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-26-16-7-4-15(5-8-16)6-10-19(24)21-12-13-23-20(25)11-9-17(22-23)18-3-2-14-27-18/h2-5,7-9,11,14H,6,10,12-13H2,1H3,(H,21,24).
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 16905512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).