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

C18H25N3O2S — CID 16905713

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H25N3O2S/c1-3-6-14(7-4-2)18(23)19-11-12-21-17(22)10-9-15(20-21)16-8-5-13-24-16/h5,8-10,13-14H,3-4,6-7,11-12H2,1-2H3,(H,19,23)
InChIKeyKULWVMWRCBJUMX-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.30
Rot. Bonds9

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

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide (PubChem CID 16905713) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide
PubChem CID16905713
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H25N3O2S/c1-3-6-14(7-4-2)18(23)19-11-12-21-17(22)10-9-15(20-21)16-8-5-13-24-16/h5,8-10,13-14H,3-4,6-7,11-12H2,1-2H3,(H,19,23)
InChIKeyKULWVMWRCBJUMX-UHFFFAOYSA-N
XLogP3.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.30
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]-2-propylpentanamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide (CID 16905713) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCCn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide?
The InChIKey is KULWVMWRCBJUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-3-6-14(7-4-2)18(23)19-11-12-21-17(22)10-9-15(20-21)16-8-5-13-24-16/h5,8-10,13-14H,3-4,6-7,11-12H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-propylpentanamide has a molecular weight of 347.48 g/mol, XLogP of 3.30, 9 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]-2-propylpentanamide is sourced from PubChem (CID 16905713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).