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

C15H19N3O2S — CID 16905682

IUPAC3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C15H19N3O2S/c1-11(2)10-14(19)16-7-8-18-15(20)6-5-12(17-18)13-4-3-9-21-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,16,19)
InChIKeyJIUQQHBLPHGPNJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.13
Rot. Bonds6

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

3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide (PubChem CID 16905682) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide
PubChem CID16905682
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C15H19N3O2S/c1-11(2)10-14(19)16-7-8-18-15(20)6-5-12(17-18)13-4-3-9-21-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,16,19)
InChIKeyJIUQQHBLPHGPNJ-UHFFFAOYSA-N
XLogP2.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide (CID 16905682) is 3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide is CC(C)CC(=O)NCCn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide?
The InChIKey is JIUQQHBLPHGPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11(2)10-14(19)16-7-8-18-15(20)6-5-12(17-18)13-4-3-9-21-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,16,19).
What are the key properties of 3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide?
3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide has a molecular weight of 305.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]butanamide is sourced from PubChem (CID 16905682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).