methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate

C24H27N3O6 — CID 42920272

IUPACmethyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27N3O6/c1-15-6-5-7-17(12-15)27-22(28)11-9-18(26-27)24(30)25-19(14-23(29)33-4)16-8-10-20(31-2)21(13-16)32-3/h5-8,10,12-13,19H,9,11,14H2,1-4H3,(H,25,30)
InChIKeyLWJVDWYOZYXQBK-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.92
Rot. Bonds8

About methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate

methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate (PubChem CID 42920272) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate
PubChem CID42920272
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Namemethyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27N3O6/c1-15-6-5-7-17(12-15)27-22(28)11-9-18(26-27)24(30)25-19(14-23(29)33-4)16-8-10-20(31-2)21(13-16)32-3/h5-8,10,12-13,19H,9,11,14H2,1-4H3,(H,25,30)
InChIKeyLWJVDWYOZYXQBK-UHFFFAOYSA-N
XLogP2.92
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24505069
N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112766088
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55415639
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30249845
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39280398
N-[4-(difluoromethoxy)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26800780
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[(2-methylsulfanylpyridine-3-carbonyl)amino]propanoate
CID 26068326
methyl 3-[[4-(aminomethyl)benzoyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 119274269
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 46637244
methyl 3-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 42920265
N-(4-cyanophenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26698462

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate (CID 42920272) is methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate is COC(=O)CC(NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate?
The InChIKey is LWJVDWYOZYXQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-15-6-5-7-17(12-15)27-22(28)11-9-18(26-27)24(30)25-19(14-23(29)33-4)16-8-10-20(31-2)21(13-16)32-3/h5-8,10,12-13,19H,9,11,14H2,1-4H3,(H,25,30).
What are the key properties of methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate?
methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate has a molecular weight of 453.50 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxyphenyl)-3-[[1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 42920272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).