5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one

C19H23N3O3 — CID 8555633

IUPAC5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H23N3O3/c1-13-4-6-15(7-5-13)22-17(23)12-16(25-3)18(20-22)19(24)21-10-8-14(2)9-11-21/h4-7,12,14H,8-11H2,1-3H3
InChIKeyZIJMICFXGDGWHA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.42
Rot. Bonds3

About 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one

5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one (PubChem CID 8555633) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one
PubChem CID8555633
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H23N3O3/c1-13-4-6-15(7-5-13)22-17(23)12-16(25-3)18(20-22)19(24)21-10-8-14(2)9-11-21/h4-7,12,14H,8-11H2,1-3H3
InChIKeyZIJMICFXGDGWHA-UHFFFAOYSA-N
XLogP2.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one (CID 8555633) is 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one is COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1CCC(C)CC1.
What is the InChIKey of 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one?
The InChIKey is ZIJMICFXGDGWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-4-6-15(7-5-13)22-17(23)12-16(25-3)18(20-22)19(24)21-10-8-14(2)9-11-21/h4-7,12,14H,8-11H2,1-3H3.
What are the key properties of 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one?
5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one has a molecular weight of 341.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 8555633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).