N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

C26H26N6O2S — CID 121071767

IUPACN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C26H26N6O2S/c33-25-11-9-21(19-5-2-1-3-6-19)30-32(25)17-14-27-26(34)20-12-15-31(16-13-20)24-10-8-22(28-29-24)23-7-4-18-35-23/h1-11,18,20H,12-17H2,(H,27,34)
InChIKeyVZKZOUBVMDKULH-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.46
Rot. Bonds7

About N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121071767) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121071767
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C26H26N6O2S/c33-25-11-9-21(19-5-2-1-3-6-19)30-32(25)17-14-27-26(34)20-12-15-31(16-13-20)24-10-8-22(28-29-24)23-7-4-18-35-23/h1-11,18,20H,12-17H2,(H,27,34)
InChIKeyVZKZOUBVMDKULH-UHFFFAOYSA-N
XLogP3.46
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071245
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide
CID 121072014
1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide
CID 121072092
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-3-carboxamide
CID 121071163
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-4-carboxamide
CID 90520440
1-(6-phenylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 30360575
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121120549
N-[(4-chlorophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947209
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121119421
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071326
N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947338
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46340074

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 121071767) is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(NCCn1nc(-c2ccccc2)ccc1=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is VZKZOUBVMDKULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c33-25-11-9-21(19-5-2-1-3-6-19)30-32(25)17-14-27-26(34)20-12-15-31(16-13-20)24-10-8-22(28-29-24)23-7-4-18-35-23/h1-11,18,20H,12-17H2,(H,27,34).
What are the key properties of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121071767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).