N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C22H25N3O4 — CID 3992311

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2=NN(c3ccc(C)cc3)C(=O)CC2)cc1OC
InChIInChI=1S/C22H25N3O4/c1-15-4-7-17(8-5-15)25-21(26)11-9-18(24-25)22(27)23-13-12-16-6-10-19(28-2)20(14-16)29-3/h4-8,10,14H,9,11-13H2,1-3H3,(H,23,27)
InChIKeyXQBRJOPHSLCDHB-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.85
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 3992311) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID3992311
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2=NN(c3ccc(C)cc3)C(=O)CC2)cc1OC
InChIInChI=1S/C22H25N3O4/c1-15-4-7-17(8-5-15)25-21(26)11-9-18(24-25)22(27)23-13-12-16-6-10-19(28-2)20(14-16)29-3/h4-8,10,14H,9,11-13H2,1-3H3,(H,23,27)
InChIKeyXQBRJOPHSLCDHB-UHFFFAOYSA-N
XLogP2.85
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4283336
1-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16591043
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18196785
6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 30525594
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2012927
1-(3-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46632756
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43020306
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 9404380
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175387

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 3992311) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is COc1ccc(CCNC(=O)C2=NN(c3ccc(C)cc3)C(=O)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XQBRJOPHSLCDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15-4-7-17(8-5-15)25-21(26)11-9-18(24-25)22(27)23-13-12-16-6-10-19(28-2)20(14-16)29-3/h4-8,10,14H,9,11-13H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 3992311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).