N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide

C22H23N3O6 — CID 108785235

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2nn(-c3ccccc3OC)c(=O)cc2O)cc1OC
InChIInChI=1S/C22H23N3O6/c1-13(14-9-10-18(30-3)19(11-14)31-4)23-22(28)21-16(26)12-20(27)25(24-21)15-7-5-6-8-17(15)29-2/h5-13,26H,1-4H3,(H,23,28)
InChIKeyJWXUDBKUEBFOOT-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.45
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 108785235) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID108785235
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2nn(-c3ccccc3OC)c(=O)cc2O)cc1OC
InChIInChI=1S/C22H23N3O6/c1-13(14-9-10-18(30-3)19(11-14)31-4)23-22(28)21-16(26)12-20(27)25(24-21)15-7-5-6-8-17(15)29-2/h5-13,26H,1-4H3,(H,23,28)
InChIKeyJWXUDBKUEBFOOT-UHFFFAOYSA-N
XLogP2.45
TPSA111.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229
2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 108785234
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
N-(3,4-dichlorophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785180
N-(2-acetylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798578
4-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798433
N-[4-(diethylamino)butyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785323
4-hydroxy-1-(2-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide
CID 108798558
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
CID 108785284
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 108798517

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide (CID 108785235) is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide is COc1ccc(C(C)NC(=O)c2nn(-c3ccccc3OC)c(=O)cc2O)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is JWXUDBKUEBFOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-13(14-9-10-18(30-3)19(11-14)31-4)23-22(28)21-16(26)12-20(27)25(24-21)15-7-5-6-8-17(15)29-2/h5-13,26H,1-4H3,(H,23,28).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108785235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).