N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C26H23N3O3 — CID 108790907

IUPACN-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1
InChIInChI=1S/C26H23N3O3/c1-17(18-13-15-21(32-2)16-14-18)27-25(30)23-22(19-9-5-3-6-10-19)24(28-29-26(23)31)20-11-7-4-8-12-20/h3-17H,1-2H3,(H,27,30)(H,29,31)
InChIKeyCHHOAIHAIZLXNY-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.60
Rot. Bonds6

About N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 108790907) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID108790907
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1
InChIInChI=1S/C26H23N3O3/c1-17(18-13-15-21(32-2)16-14-18)27-25(30)23-22(19-9-5-3-6-10-19)24(28-29-26(23)31)20-11-7-4-8-12-20/h3-17H,1-2H3,(H,27,30)(H,29,31)
InChIKeyCHHOAIHAIZLXNY-UHFFFAOYSA-N
XLogP4.60
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-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

N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258
2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 108803564
methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate
CID 108803578
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
(4-bromophenyl) 6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxylate
CID 20999041
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108744733
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871114

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 108790907) is N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is COc1ccc(C(C)NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is CHHOAIHAIZLXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-17(18-13-15-21(32-2)16-14-18)27-25(30)23-22(19-9-5-3-6-10-19)24(28-29-26(23)31)20-11-7-4-8-12-20/h3-17H,1-2H3,(H,27,30)(H,29,31).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 108790907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).