2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one

C18H18N4O3 — CID 76683950

IUPAC2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one
SMILESCOc1ccc(Nc2ccc(=O)n(Cc3ccccc3)n2)nc1OC
InChIInChI=1S/C18H18N4O3/c1-24-14-8-9-15(20-18(14)25-2)19-16-10-11-17(23)22(21-16)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,20,21)
InChIKeyWERHUDOYJDEOBF-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.45
Rot. Bonds6

About 2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one

2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one (PubChem CID 76683950) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one
PubChem CID76683950
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one
SMILESCOc1ccc(Nc2ccc(=O)n(Cc3ccccc3)n2)nc1OC
InChIInChI=1S/C18H18N4O3/c1-24-14-8-9-15(20-18(14)25-2)19-16-10-11-17(23)22(21-16)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,20,21)
InChIKeyWERHUDOYJDEOBF-UHFFFAOYSA-N
XLogP2.45
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]-N-(6-methylpyridin-2-yl)acetamide
CID 51054789
(E)-3-(4-fluorophenyl)-N-(3-methoxy-2-pyridinyl)prop-2-enamide
CID 84384657
[6-(Benzylamino)-2-ethoxycarbonyloxy-3-pyridinyl] ethyl carbonate
CID 23206008
2-(3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl)-N-(6-methylpyridin-2-yl)acetamide
CID 51043438
3-[(Z)-1-amino-2-anilinoethenyl]-6,7-dimethoxy-1H-1,8-naphthyridin-2-one
CID 130244231
N-[5-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-3-methoxy-2-pyridinyl]acetamide
CID 145260262
1-methyl-6-oxo-N-[5-(2-phenoxyethyl)-2-pyridinyl]pyridazine-3-carboxamide
CID 155700124
N-[4-[(E)-2-cyclohexylethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide
CID 156384508
2-Benzyl-6-chloropyridazin-3-one;2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one;5,6-dimethoxypyridin-2-amine;methane
CID 157187934
2-Benzyl-6-chloropyridazin-3-one;2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one;5,6-dimethoxypyridin-2-amine
CID 160937053
6,7-dimethoxy-3-(2-phenyliminoethanehydrazonoyl)-1H-1,8-naphthyridin-2-one
CID 173701320
5-[1-(2-cyclohexylethyl)piperidin-3-yl]-2-(5,6-dimethoxy-2-pyridinyl)-4H-1,2,4-triazol-3-one
CID 176396388

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one (CID 76683950) is 2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one is COc1ccc(Nc2ccc(=O)n(Cc3ccccc3)n2)nc1OC.
What is the InChIKey of 2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one?
The InChIKey is WERHUDOYJDEOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-14-8-9-15(20-18(14)25-2)19-16-10-11-17(23)22(21-16)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one?
2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one has a molecular weight of 338.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one is sourced from PubChem (CID 76683950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).