1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C26H27N3O4 — CID 55660924

IUPAC1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)NCc3cccc(COCc4ccco4)c3)CCC2=O)c1
InChIInChI=1S/C26H27N3O4/c1-18-8-9-19(2)24(13-18)29-25(30)11-10-23(28-29)26(31)27-15-20-5-3-6-21(14-20)16-32-17-22-7-4-12-33-22/h3-9,12-14H,10-11,15-17H2,1-2H3,(H,27,31)
InChIKeyDIIRUZDDFQSHII-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.41
Rot. Bonds8

About 1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55660924) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55660924
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)NCc3cccc(COCc4ccco4)c3)CCC2=O)c1
InChIInChI=1S/C26H27N3O4/c1-18-8-9-19(2)24(13-18)29-25(30)11-10-23(28-29)26(31)27-15-20-5-3-6-21(14-20)16-32-17-22-7-4-12-33-22/h3-9,12-14H,10-11,15-17H2,1-2H3,(H,27,31)
InChIKeyDIIRUZDDFQSHII-UHFFFAOYSA-N
XLogP4.41
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-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-[1-(furan-2-carbonyl)piperidin-4-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46519529
1-(2,5-dimethylphenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55839935
1-(2,5-dimethylphenyl)-N-[2-(2-methylpropoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60532904
1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55586186
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 55661006
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide
CID 60518761
2-(2,6-dimethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 46470415
1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 37363132
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
4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 55660950
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46434002

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55660924) is 1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)NCc3cccc(COCc4ccco4)c3)CCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is DIIRUZDDFQSHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-18-8-9-19(2)24(13-18)29-25(30)11-10-23(28-29)26(31)27-15-20-5-3-6-21(14-20)16-32-17-22-7-4-12-33-22/h3-9,12-14H,10-11,15-17H2,1-2H3,(H,27,31).
What are the key properties of 1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.41, 8 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-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55660924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).