5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one

C21H23N3O3 — CID 56902261

IUPAC5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1cccc(Cn2ncc(N(C)Cc3ccccc3)cc2=O)c1OC
InChIInChI=1S/C21H23N3O3/c1-23(14-16-8-5-4-6-9-16)18-12-20(25)24(22-13-18)15-17-10-7-11-19(26-2)21(17)27-3/h4-13H,14-15H2,1-3H3
InChIKeyKDOSWABYZYGHRQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.95
Rot. Bonds7

About 5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one

5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one (PubChem CID 56902261) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one
PubChem CID56902261
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1cccc(Cn2ncc(N(C)Cc3ccccc3)cc2=O)c1OC
InChIInChI=1S/C21H23N3O3/c1-23(14-16-8-5-4-6-9-16)18-12-20(25)24(22-13-18)15-17-10-7-11-19(26-2)21(17)27-3/h4-13H,14-15H2,1-3H3
InChIKeyKDOSWABYZYGHRQ-UHFFFAOYSA-N
XLogP2.95
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one (CID 56902261) is 5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one is COc1cccc(Cn2ncc(N(C)Cc3ccccc3)cc2=O)c1OC.
What is the InChIKey of 5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is KDOSWABYZYGHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-23(14-16-8-5-4-6-9-16)18-12-20(25)24(22-13-18)15-17-10-7-11-19(26-2)21(17)27-3/h4-13H,14-15H2,1-3H3.
What are the key properties of 5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one?
5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 365.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-2-[(2,3-dimethoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 56902261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).