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

C20H19N3O2 — CID 30992788

IUPACN-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C20H19N3O2/c1-15-8-10-17(11-9-15)23(14-16-6-4-3-5-7-16)20(25)18-12-13-19(24)22(2)21-18/h3-13H,14H2,1-2H3
InChIKeyMVYKGSYXEKJZCQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.94
Rot. Bonds4

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

N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 30992788) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID30992788
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C20H19N3O2/c1-15-8-10-17(11-9-15)23(14-16-6-4-3-5-7-16)20(25)18-12-13-19(24)22(2)21-18/h3-13H,14H2,1-2H3
InChIKeyMVYKGSYXEKJZCQ-UHFFFAOYSA-N
XLogP2.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
CID 42161824
N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 110682735
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734635
N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 75449858
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 29388167
2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid
CID 54901036
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347
N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 86939284
N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide
CID 42162108
2-benzyl-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 139013521
tert-butyl 3-[benzyl-(4-methylphenyl)carbamoyl]-1H-pyrazole-5-carboxylate
CID 167781120

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 30992788) is N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide is Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MVYKGSYXEKJZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15-8-10-17(11-9-15)23(14-16-6-4-3-5-7-16)20(25)18-12-13-19(24)22(2)21-18/h3-13H,14H2,1-2H3.
What are the key properties of N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide?
N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 30992788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).