1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide

C15H26N2OS — CID 141330989

IUPAC1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCCCCCCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C15H26N2OS/c1-2-3-4-5-6-7-8-11-17-12-9-10-13(14(16)18)15(17)19/h9-10,12,15,19H,2-8,11H2,1H3,(H2,16,18)
InChIKeyXANSXRBTKIWKEQ-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.23
Rot. Bonds9

About 1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide

1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330989) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330989
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCCCCCCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C15H26N2OS/c1-2-3-4-5-6-7-8-11-17-12-9-10-13(14(16)18)15(17)19/h9-10,12,15,19H,2-8,11H2,1H3,(H2,16,18)
InChIKeyXANSXRBTKIWKEQ-UHFFFAOYSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330968
1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330971
1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330973
1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330974
1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330975
1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330977
1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330979
1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330980
1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330982
1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330990
1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330992
1-Nonyl-2-sulfanylidenepyridine-3-carboxamide
CID 146452033

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330989) is 1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide is CCCCCCCCCN1C=CC=C(C(N)=O)C1S.
What is the InChIKey of 1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is XANSXRBTKIWKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-2-3-4-5-6-7-8-11-17-12-9-10-13(14(16)18)15(17)19/h9-10,12,15,19H,2-8,11H2,1H3,(H2,16,18).
What are the key properties of 1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide?
1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 282.45 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).