N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide

C14H17N3O2S — CID 42138769

IUPACN-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide
SMILESCCC(=O)NCCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C14H17N3O2S/c1-2-13(18)15-8-4-9-17-14(19)7-6-11(16-17)12-5-3-10-20-12/h3,5-7,10H,2,4,8-9H2,1H3,(H,15,18)
InChIKeyNNNSJXOFEPUVME-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.89
Rot. Bonds6

About N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide

N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide (PubChem CID 42138769) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide
PubChem CID42138769
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide
SMILESCCC(=O)NCCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C14H17N3O2S/c1-2-13(18)15-8-4-9-17-14(19)7-6-11(16-17)12-5-3-10-20-12/h3,5-7,10H,2,4,8-9H2,1H3,(H,15,18)
InChIKeyNNNSJXOFEPUVME-UHFFFAOYSA-N
XLogP1.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide?
The IUPAC name of N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide (CID 42138769) is N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide.
What is the SMILES notation for N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide?
The canonical SMILES for N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide is CCC(=O)NCCCn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide?
The InChIKey is NNNSJXOFEPUVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-13(18)15-8-4-9-17-14(19)7-6-11(16-17)12-5-3-10-20-12/h3,5-7,10H,2,4,8-9H2,1H3,(H,15,18).
What are the key properties of N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide?
N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide has a molecular weight of 291.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propyl]propanamide is sourced from PubChem (CID 42138769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).