1-nonyl-2-sulfanylidenepyridine-3-carboxamide

C15H24N2OS — CID 146452033

IUPAC1-nonyl-2-sulfanylidenepyridine-3-carboxamide
SMILESCCCCCCCCCn1cccc(C(N)=O)c1=S
InChIInChI=1S/C15H24N2OS/c1-2-3-4-5-6-7-8-11-17-12-9-10-13(14(16)18)15(17)19/h9-10,12H,2-8,11H2,1H3,(H2,16,18)
InChIKeyYQNXHEXUDBAINZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.07
Rot. Bonds9

About 1-nonyl-2-sulfanylidenepyridine-3-carboxamide

1-nonyl-2-sulfanylidenepyridine-3-carboxamide (PubChem CID 146452033) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-nonyl-2-sulfanylidenepyridine-3-carboxamide.

Molecular Properties

Compound Name1-nonyl-2-sulfanylidenepyridine-3-carboxamide
PubChem CID146452033
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-nonyl-2-sulfanylidenepyridine-3-carboxamide
SMILESCCCCCCCCCn1cccc(C(N)=O)c1=S
InChIInChI=1S/C15H24N2OS/c1-2-3-4-5-6-7-8-11-17-12-9-10-13(14(16)18)15(17)19/h9-10,12H,2-8,11H2,1H3,(H2,16,18)
InChIKeyYQNXHEXUDBAINZ-UHFFFAOYSA-N
XLogP4.07
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-nonyl-2-sulfanylidenepyridine-3-carboxamide?
The IUPAC name of 1-nonyl-2-sulfanylidenepyridine-3-carboxamide (CID 146452033) is 1-nonyl-2-sulfanylidenepyridine-3-carboxamide.
What is the SMILES notation for 1-nonyl-2-sulfanylidenepyridine-3-carboxamide?
The canonical SMILES for 1-nonyl-2-sulfanylidenepyridine-3-carboxamide is CCCCCCCCCn1cccc(C(N)=O)c1=S.
What is the InChIKey of 1-nonyl-2-sulfanylidenepyridine-3-carboxamide?
The InChIKey is YQNXHEXUDBAINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-3-4-5-6-7-8-11-17-12-9-10-13(14(16)18)15(17)19/h9-10,12H,2-8,11H2,1H3,(H2,16,18).
What are the key properties of 1-nonyl-2-sulfanylidenepyridine-3-carboxamide?
1-nonyl-2-sulfanylidenepyridine-3-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-2-sulfanylidenepyridine-3-carboxamide is sourced from PubChem (CID 146452033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).