4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide

C21H20N6O2 — CID 66875738

IUPAC4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3cnccn3)c2)CC1
InChIInChI=1S/C21H20N6O2/c28-21(25-19-5-2-8-24-26-19)27-11-6-16(7-12-27)13-17-3-1-4-18(14-17)29-20-15-22-9-10-23-20/h1-5,8-10,13-15H,6-7,11-12H2,(H,25,26,28)
InChIKeyVKPSAKHCSFSYMH-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.77
Rot. Bonds4

About 4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide

4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide (PubChem CID 66875738) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
PubChem CID66875738
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3cnccn3)c2)CC1
InChIInChI=1S/C21H20N6O2/c28-21(25-19-5-2-8-24-26-19)27-11-6-16(7-12-27)13-17-3-1-4-18(14-17)29-20-15-22-9-10-23-20/h1-5,8-10,13-15H,6-7,11-12H2,(H,25,26,28)
InChIKeyVKPSAKHCSFSYMH-UHFFFAOYSA-N
XLogP3.77
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66896937
4-[(6-phenoxy-2-pyridinyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 24966201
N-(6-chloropyridazin-3-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24966910
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66885490
N-pyridin-3-yl-4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24964786
N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66899697
N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide
CID 66653014
4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66889276
4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 166076228
N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 167660103
benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane
CID 166076258
4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide
CID 66886134

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide (CID 66875738) is 4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3cnccn3)c2)CC1.
What is the InChIKey of 4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The InChIKey is VKPSAKHCSFSYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-21(25-19-5-2-8-24-26-19)27-11-6-16(7-12-27)13-17-3-1-4-18(14-17)29-20-15-22-9-10-23-20/h1-5,8-10,13-15H,6-7,11-12H2,(H,25,26,28).
What are the key properties of 4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide?
4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 66875738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).