4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide

C23H22N4O2 — CID 53317869

IUPAC4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C23H22N4O2/c28-23(25-22-10-5-13-24-26-22)27-14-11-18(12-15-27)16-19-6-4-9-21(17-19)29-20-7-2-1-3-8-20/h1-10,13,16-17H,11-12,14-15H2,(H,25,26,28)
InChIKeyQQKYRHGJXBDBHG-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.98
Rot. Bonds4

About 4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide

4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide (PubChem CID 53317869) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
PubChem CID53317869
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C23H22N4O2/c28-23(25-22-10-5-13-24-26-22)27-14-11-18(12-15-27)16-19-6-4-9-21(17-19)29-20-7-2-1-3-8-20/h1-10,13,16-17H,11-12,14-15H2,(H,25,26,28)
InChIKeyQQKYRHGJXBDBHG-UHFFFAOYSA-N
XLogP4.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide (CID 53317869) is 4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The InChIKey is QQKYRHGJXBDBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-23(25-22-10-5-13-24-26-22)27-14-11-18(12-15-27)16-19-6-4-9-21(17-19)29-20-7-2-1-3-8-20/h1-10,13,16-17H,11-12,14-15H2,(H,25,26,28).
What are the key properties of 4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenoxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 53317869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).