N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide

C17H21N3O2S — CID 16668843

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)C1CCCCC1
InChIInChI=1S/C17H21N3O2S/c21-16-9-8-14(15-7-4-12-23-15)19-20(16)11-10-18-17(22)13-5-2-1-3-6-13/h4,7-9,12-13H,1-3,5-6,10-11H2,(H,18,22)
InChIKeyQBBPRZGOKRFVJV-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide (PubChem CID 16668843) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide
PubChem CID16668843
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)C1CCCCC1
InChIInChI=1S/C17H21N3O2S/c21-16-9-8-14(15-7-4-12-23-15)19-20(16)11-10-18-17(22)13-5-2-1-3-6-13/h4,7-9,12-13H,1-3,5-6,10-11H2,(H,18,22)
InChIKeyQBBPRZGOKRFVJV-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide (CID 16668843) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide is O=C(NCCn1nc(-c2cccs2)ccc1=O)C1CCCCC1.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is QBBPRZGOKRFVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-16-9-8-14(15-7-4-12-23-15)19-20(16)11-10-18-17(22)13-5-2-1-3-6-13/h4,7-9,12-13H,1-3,5-6,10-11H2,(H,18,22).
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16668843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).