N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide

C20H19N3O3 — CID 53157495

IUPACN-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)NCc2ccccc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C20H19N3O3/c1-14-8-10-16(11-9-14)23-18(26-2)12-17(24)19(22-23)20(25)21-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,25)
InChIKeyOINJPUWJNWNTBA-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.48
Rot. Bonds5

About N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide

N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 53157495) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID53157495
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)NCc2ccccc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C20H19N3O3/c1-14-8-10-16(11-9-14)23-18(26-2)12-17(24)19(22-23)20(25)21-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,25)
InChIKeyOINJPUWJNWNTBA-UHFFFAOYSA-N
XLogP2.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157498
6-ethoxy-1-(4-methylphenyl)-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157517
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 53157537
1-(3,4-difluorophenyl)-6-methoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157575
3-(azepane-1-carbonyl)-6-methoxy-1-(4-methylphenyl)pyridazin-4-one
CID 53157732
N-benzyl-4-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004761
N-benzyl-4-[(2-chlorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004913
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 55846918
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 53157521
6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one
CID 53157733
N-benzyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004374

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide (CID 53157495) is N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide is COc1cc(=O)c(C(=O)NCc2ccccc2)nn1-c1ccc(C)cc1.
What is the InChIKey of N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is OINJPUWJNWNTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-8-10-16(11-9-14)23-18(26-2)12-17(24)19(22-23)20(25)21-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,25).
What are the key properties of N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 53157495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).