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

C26H26N6O2S — CID 121072092

IUPAC1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide
SMILESO=C(NCCOc1ccc(-c2cccs2)nn1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C26H26N6O2S/c33-26(27-14-17-34-25-11-9-22(29-31-25)23-7-4-18-35-23)20-12-15-32(16-13-20)24-10-8-21(28-30-24)19-5-2-1-3-6-19/h1-11,18,20H,12-17H2,(H,27,33)
InChIKeyCTUSAVPQAPGPKW-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.07
Rot. Bonds8

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

1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide (PubChem CID 121072092) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide
PubChem CID121072092
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide
SMILESO=C(NCCOc1ccc(-c2cccs2)nn1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C26H26N6O2S/c33-26(27-14-17-34-25-11-9-22(29-31-25)23-7-4-18-35-23)20-12-15-32(16-13-20)24-10-8-21(28-30-24)19-5-2-1-3-6-19/h1-11,18,20H,12-17H2,(H,27,33)
InChIKeyCTUSAVPQAPGPKW-UHFFFAOYSA-N
XLogP4.07
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-3-carboxamide
CID 121071330
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071767
1-(6-phenylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 30360575
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071786
N-[(4-chlorophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947209
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071367
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
CID 121072176
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071245
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
N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide
CID 18589504
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 121072127

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide (CID 121072092) is 1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide is O=C(NCCOc1ccc(-c2cccs2)nn1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide?
The InChIKey is CTUSAVPQAPGPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c33-26(27-14-17-34-25-11-9-22(29-31-25)23-7-4-18-35-23)20-12-15-32(16-13-20)24-10-8-21(28-30-24)19-5-2-1-3-6-19/h1-11,18,20H,12-17H2,(H,27,33).
What are the key properties of 1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide?
1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide is sourced from PubChem (CID 121072092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).