N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide

C23H24N4O2S — CID 66896937

IUPACN-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(=Cc2cccc(OCCc3ccsc3)c2)CC1
InChIInChI=1S/C23H24N4O2S/c28-23(25-22-5-2-10-24-26-22)27-11-6-18(7-12-27)15-20-3-1-4-21(16-20)29-13-8-19-9-14-30-17-19/h1-5,9-10,14-17H,6-8,11-13H2,(H,25,26,28)
InChIKeyVEEQGJLWWFZGFN-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.87
Rot. Bonds6

About N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide

N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66896937) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66896937
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(=Cc2cccc(OCCc3ccsc3)c2)CC1
InChIInChI=1S/C23H24N4O2S/c28-23(25-22-5-2-10-24-26-22)27-11-6-18(7-12-27)15-20-3-1-4-21(16-20)29-13-8-19-9-14-30-17-19/h1-5,9-10,14-17H,6-8,11-13H2,(H,25,26,28)
InChIKeyVEEQGJLWWFZGFN-UHFFFAOYSA-N
XLogP4.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide (CID 66896937) is N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide is O=C(Nc1cccnn1)N1CCC(=Cc2cccc(OCCc3ccsc3)c2)CC1.
What is the InChIKey of N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is VEEQGJLWWFZGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c28-23(25-22-5-2-10-24-26-22)27-11-6-18(7-12-27)15-20-3-1-4-21(16-20)29-13-8-19-9-14-30-17-19/h1-5,9-10,14-17H,6-8,11-13H2,(H,25,26,28).
What are the key properties of N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66896937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).