3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide

C11H17N3OS — CID 63591440

IUPAC3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide
SMILESCCN(CCC(N)=S)c1cccc(OC)n1
InChIInChI=1S/C11H17N3OS/c1-3-14(8-7-9(12)16)10-5-4-6-11(13-10)15-2/h4-6H,3,7-8H2,1-2H3,(H2,12,16)
InChIKeyBZDBAKRCXBFONZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.59
Rot. Bonds6

About 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide

3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide (PubChem CID 63591440) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide
PubChem CID63591440
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide
SMILESCCN(CCC(N)=S)c1cccc(OC)n1
InChIInChI=1S/C11H17N3OS/c1-3-14(8-7-9(12)16)10-5-4-6-11(13-10)15-2/h4-6H,3,7-8H2,1-2H3,(H2,12,16)
InChIKeyBZDBAKRCXBFONZ-UHFFFAOYSA-N
XLogP1.59
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide?
The IUPAC name of 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide (CID 63591440) is 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide.
What is the SMILES notation for 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide?
The canonical SMILES for 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide is CCN(CCC(N)=S)c1cccc(OC)n1.
What is the InChIKey of 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide?
The InChIKey is BZDBAKRCXBFONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-14(8-7-9(12)16)10-5-4-6-11(13-10)15-2/h4-6H,3,7-8H2,1-2H3,(H2,12,16).
What are the key properties of 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide?
3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide has a molecular weight of 239.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanethioamide is sourced from PubChem (CID 63591440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).