4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide

C22H21N5O2 — CID 24966201

IUPAC4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C22H21N5O2/c28-22(25-20-9-5-13-23-26-20)27-14-11-17(12-15-27)16-18-6-4-10-21(24-18)29-19-7-2-1-3-8-19/h1-10,13,16H,11-12,14-15H2,(H,25,26,28)
InChIKeyVGPBKLQMMBPKGB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.38
Rot. Bonds4

About 4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide

4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide (PubChem CID 24966201) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
PubChem CID24966201
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C22H21N5O2/c28-22(25-20-9-5-13-23-26-20)27-14-11-17(12-15-27)16-18-6-4-10-21(24-18)29-19-7-2-1-3-8-19/h1-10,13,16H,11-12,14-15H2,(H,25,26,28)
InChIKeyVGPBKLQMMBPKGB-UHFFFAOYSA-N
XLogP4.38
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66875738
N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66896937
2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid
CID 154746480
4-(4-phenylpyrimidin-2-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 46233705
4-(4-phenyl-1,3-thiazol-2-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 68779561
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66885490
4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 70877831
N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
CID 158437458
N-(6-chloropyridazin-3-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24966910
4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66883815
N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 167660103
(4E)-4-[[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 67228281

Frequently Asked Questions

What is the IUPAC name of 4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide (CID 24966201) is 4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccccc3)n2)CC1.
What is the InChIKey of 4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The InChIKey is VGPBKLQMMBPKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-22(25-20-9-5-13-23-26-20)27-14-11-17(12-15-27)16-18-6-4-10-21(24-18)29-19-7-2-1-3-8-19/h1-10,13,16H,11-12,14-15H2,(H,25,26,28).
What are the key properties of 4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 24966201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).