N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C14H22N2OS — CID 42941260

IUPACN-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C14H22N2OS/c1-3-5-7-11(4-2)10-16-13(17)12-8-6-9-15-14(12)18/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLRQRZOQLSDQUED-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.69
Rot. Bonds7

About N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 42941260) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID42941260
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C14H22N2OS/c1-3-5-7-11(4-2)10-16-13(17)12-8-6-9-15-14(12)18/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLRQRZOQLSDQUED-UHFFFAOYSA-N
XLogP3.69
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
N-(2-hydroxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 110886952
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
2-amino-N-(2-ethylhexyl)-3-methylbenzamide
CID 103604526
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25482491
N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 86983437
N-[(2R)-2-phenylsulfanylpropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 96567887
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
N-(3-hydroxy-4-methylpentyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111461175

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 42941260) is N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is CCCCC(CC)CNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is LRQRZOQLSDQUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-5-7-11(4-2)10-16-13(17)12-8-6-9-15-14(12)18/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42941260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).