N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C15H24N2OS — CID 42884041

IUPACN-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCCCCCCCCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C15H24N2OS/c1-2-3-4-5-6-7-8-11-16-14(18)13-10-9-12-17-15(13)19/h9-10,12H,2-8,11H2,1H3,(H,16,18)(H,17,19)
InChIKeyCKOSQCDRSHGLOJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.22
Rot. Bonds9

About N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide

N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 42884041) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID42884041
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCCCCCCCCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C15H24N2OS/c1-2-3-4-5-6-7-8-11-16-14(18)13-10-9-12-17-15(13)19/h9-10,12H,2-8,11H2,1H3,(H,16,18)(H,17,19)
InChIKeyCKOSQCDRSHGLOJ-UHFFFAOYSA-N
XLogP4.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 42884041) is N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide is CCCCCCCCCNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is CKOSQCDRSHGLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-3-4-5-6-7-8-11-16-14(18)13-10-9-12-17-15(13)19/h9-10,12H,2-8,11H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42884041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).