4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide

C15H17N5O2S — CID 42173129

IUPAC4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide
SMILESCC(=O)Nc1ccc(SCCCC(=O)Nc2ccncc2)nn1
InChIInChI=1S/C15H17N5O2S/c1-11(21)17-13-4-5-15(20-19-13)23-10-2-3-14(22)18-12-6-8-16-9-7-12/h4-9H,2-3,10H2,1H3,(H,16,18,22)(H,17,19,21)
InChIKeyMQFHMTQDVLUSJR-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.34
Rot. Bonds7

About 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide

4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide (PubChem CID 42173129) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide
PubChem CID42173129
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide
SMILESCC(=O)Nc1ccc(SCCCC(=O)Nc2ccncc2)nn1
InChIInChI=1S/C15H17N5O2S/c1-11(21)17-13-4-5-15(20-19-13)23-10-2-3-14(22)18-12-6-8-16-9-7-12/h4-9H,2-3,10H2,1H3,(H,16,18,22)(H,17,19,21)
InChIKeyMQFHMTQDVLUSJR-UHFFFAOYSA-N
XLogP2.34
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide?
The IUPAC name of 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide (CID 42173129) is 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide?
The canonical SMILES for 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide is CC(=O)Nc1ccc(SCCCC(=O)Nc2ccncc2)nn1.
What is the InChIKey of 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide?
The InChIKey is MQFHMTQDVLUSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-11(21)17-13-4-5-15(20-19-13)23-10-2-3-14(22)18-12-6-8-16-9-7-12/h4-9H,2-3,10H2,1H3,(H,16,18,22)(H,17,19,21).
What are the key properties of 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide?
4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide has a molecular weight of 331.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 42173129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).