N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide

C20H19N3O2 — CID 42161828

IUPACN,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1=O
InChIInChI=1S/C20H19N3O2/c1-22-19(24)13-12-18(21-22)20(25)23(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3
InChIKeyXFUOCUAOXPAYNC-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.62
Rot. Bonds5

About N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide

N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 42161828) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID42161828
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1=O
InChIInChI=1S/C20H19N3O2/c1-22-19(24)13-12-18(21-22)20(25)23(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3
InChIKeyXFUOCUAOXPAYNC-UHFFFAOYSA-N
XLogP2.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dibenzyl-1-methyl-6-oxopyridazine-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-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
1-Benzyl-3-methyl-2-pyrazolin-5-one
CID 70349
2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
N-benzyl-3-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 2810676
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
1-(3-phenyl-5-o-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11529216
6-Methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 2800008
2-benzyl-5,6-dihydrobenzo[h]cinnolin-3(2H)-one
CID 1472489
1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 2579680
2-(4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 7659607
2-(2,5-dimethylbenzyl)-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 7662489
3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide
CID 8778606

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide (CID 42161828) is N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1=O.
What is the InChIKey of N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is XFUOCUAOXPAYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-22-19(24)13-12-18(21-22)20(25)23(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3.
What are the key properties of N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide?
N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).