6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one

C19H23N3O4 — CID 51364576

IUPAC6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one
SMILESCCOc1cc(=O)c(C(=O)N2CCCCC2)nn1-c1ccc(OC)cc1
InChIInChI=1S/C19H23N3O4/c1-3-26-17-13-16(23)18(19(24)21-11-5-4-6-12-21)20-22(17)14-7-9-15(25-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyDKQVTYMJJSJTHQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.27
Rot. Bonds5

About 6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one

6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one (PubChem CID 51364576) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one.

Molecular Properties

Compound Name6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one
PubChem CID51364576
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one
SMILESCCOc1cc(=O)c(C(=O)N2CCCCC2)nn1-c1ccc(OC)cc1
InChIInChI=1S/C19H23N3O4/c1-3-26-17-13-16(23)18(19(24)21-11-5-4-6-12-21)20-22(17)14-7-9-15(25-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyDKQVTYMJJSJTHQ-UHFFFAOYSA-N
XLogP2.27
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one?
The IUPAC name of 6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one (CID 51364576) is 6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one.
What is the SMILES notation for 6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one?
The canonical SMILES for 6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one is CCOc1cc(=O)c(C(=O)N2CCCCC2)nn1-c1ccc(OC)cc1.
What is the InChIKey of 6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one?
The InChIKey is DKQVTYMJJSJTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-3-26-17-13-16(23)18(19(24)21-11-5-4-6-12-21)20-22(17)14-7-9-15(25-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one?
6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one has a molecular weight of 357.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)pyridazin-4-one is sourced from PubChem (CID 51364576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).