2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide

C16H26N2O2S — CID 110007448

IUPAC2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccnc(SC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2S/c1-7-18(11-16(5,6)20)14(19)12-8-9-17-13(10-12)21-15(2,3)4/h8-10,20H,7,11H2,1-6H3
InChIKeyDXVKHZVLGGFJHO-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.21
Rot. Bonds5

About 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide

2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide (PubChem CID 110007448) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
PubChem CID110007448
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccnc(SC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2S/c1-7-18(11-16(5,6)20)14(19)12-8-9-17-13(10-12)21-15(2,3)4/h8-10,20H,7,11H2,1-6H3
InChIKeyDXVKHZVLGGFJHO-UHFFFAOYSA-N
XLogP3.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62181870
2-tert-butylsulfanyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-4-carboxamide
CID 75499116
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide
CID 79378491
N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 111596727
N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)-3-nitrobenzamide
CID 79380403
2-[4-(diethylamino)-4-oxobutyl]sulfanylpyridine-4-carboxylic acid
CID 61301257
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999143
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide (CID 110007448) is 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide is CCN(CC(C)(C)O)C(=O)c1ccnc(SC(C)(C)C)c1.
What is the InChIKey of 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is DXVKHZVLGGFJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-7-18(11-16(5,6)20)14(19)12-8-9-17-13(10-12)21-15(2,3)4/h8-10,20H,7,11H2,1-6H3.
What are the key properties of 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 310.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 110007448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).