2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one

C21H23N3O2 — CID 56900003

IUPAC2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one
SMILESCOc1cccc(Cn2ncc(N(C)CCc3ccccc3)cc2=O)c1
InChIInChI=1S/C21H23N3O2/c1-23(12-11-17-7-4-3-5-8-17)19-14-21(25)24(22-15-19)16-18-9-6-10-20(13-18)26-2/h3-10,13-15H,11-12,16H2,1-2H3
InChIKeyYEFDLXVGXVGAIT-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.98
Rot. Bonds7

About 2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one

2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one (PubChem CID 56900003) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one
PubChem CID56900003
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one
SMILESCOc1cccc(Cn2ncc(N(C)CCc3ccccc3)cc2=O)c1
InChIInChI=1S/C21H23N3O2/c1-23(12-11-17-7-4-3-5-8-17)19-14-21(25)24(22-15-19)16-18-9-6-10-20(13-18)26-2/h3-10,13-15H,11-12,16H2,1-2H3
InChIKeyYEFDLXVGXVGAIT-UHFFFAOYSA-N
XLogP2.98
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one (CID 56900003) is 2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one is COc1cccc(Cn2ncc(N(C)CCc3ccccc3)cc2=O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one?
The InChIKey is YEFDLXVGXVGAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-23(12-11-17-7-4-3-5-8-17)19-14-21(25)24(22-15-19)16-18-9-6-10-20(13-18)26-2/h3-10,13-15H,11-12,16H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one?
2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one has a molecular weight of 349.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-5-[methyl(2-phenylethyl)amino]pyridazin-3-one is sourced from PubChem (CID 56900003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).