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

C16H19N3O2S — CID 16668845

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)C1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-15-8-7-13(14-6-3-11-22-14)18-19(15)10-9-17-16(21)12-4-1-2-5-12/h3,6-8,11-12H,1-2,4-5,9-10H2,(H,17,21)
InChIKeyKJPJVKOFIQOTRR-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.28
Rot. Bonds5

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

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide (PubChem CID 16668845) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide
PubChem CID16668845
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)C1CCCC1
InChIInChI=1S/C16H19N3O2S/c20-15-8-7-13(14-6-3-11-22-14)18-19(15)10-9-17-16(21)12-4-1-2-5-12/h3,6-8,11-12H,1-2,4-5,9-10H2,(H,17,21)
InChIKeyKJPJVKOFIQOTRR-UHFFFAOYSA-N
XLogP2.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.28
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]cyclopentanecarboxamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide (CID 16668845) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide is O=C(NCCn1nc(-c2cccs2)ccc1=O)C1CCCC1.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is KJPJVKOFIQOTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15-8-7-13(14-6-3-11-22-14)18-19(15)10-9-17-16(21)12-4-1-2-5-12/h3,6-8,11-12H,1-2,4-5,9-10H2,(H,17,21).
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.28, 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]cyclopentanecarboxamide is sourced from PubChem (CID 16668845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).