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

C22H25N3O4 — CID 55586186

IUPAC1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1cccc(OCCNC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c1
InChIInChI=1S/C22H25N3O4/c1-15-7-8-16(2)20(13-15)25-21(26)10-9-19(24-25)22(27)23-11-12-29-18-6-4-5-17(14-18)28-3/h4-8,13-14H,9-12H2,1-3H3,(H,23,27)
InChIKeyIMCCSEDMFFLRHZ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.99
Rot. Bonds7

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

1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55586186) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55586186
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1cccc(OCCNC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c1
InChIInChI=1S/C22H25N3O4/c1-15-7-8-16(2)20(13-15)25-21(26)10-9-19(24-25)22(27)23-11-12-29-18-6-4-5-17(14-18)28-3/h4-8,13-14H,9-12H2,1-3H3,(H,23,27)
InChIKeyIMCCSEDMFFLRHZ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-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-(2,5-dimethylphenyl)-N-[2-(3-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46433241
1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 37363132
1-(2,5-dimethylphenyl)-N-[2-(2-methylpropoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60532904
1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide
CID 60518761
1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51072519
1-(2,5-dimethylphenyl)-6-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 43056022
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51153065
N-(3-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942417
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43007309
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
1-(2,5-dimethylphenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43004883
1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55660924

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55586186) is 1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is COc1cccc(OCCNC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is IMCCSEDMFFLRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15-7-8-16(2)20(13-15)25-21(26)10-9-19(24-25)22(27)23-11-12-29-18-6-4-5-17(14-18)28-3/h4-8,13-14H,9-12H2,1-3H3,(H,23,27).
What are the key properties of 1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55586186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).