N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

C19H28N4O2S — CID 47041344

IUPACN-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCCC(CC)(CNC(=O)c1cccnc1SCc1cc(C)on1)N(C)C
InChIInChI=1S/C19H28N4O2S/c1-6-19(7-2,23(4)5)13-21-17(24)16-9-8-10-20-18(16)26-12-15-11-14(3)25-22-15/h8-11H,6-7,12-13H2,1-5H3,(H,21,24)
InChIKeyWDXKKNRGGWYGOR-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.52
Rot. Bonds9

About N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 47041344) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID47041344
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCCC(CC)(CNC(=O)c1cccnc1SCc1cc(C)on1)N(C)C
InChIInChI=1S/C19H28N4O2S/c1-6-19(7-2,23(4)5)13-21-17(24)16-9-8-10-20-18(16)26-12-15-11-14(3)25-22-15/h8-11H,6-7,12-13H2,1-5H3,(H,21,24)
InChIKeyWDXKKNRGGWYGOR-UHFFFAOYSA-N
XLogP3.52
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 51253609
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 34819713
N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 9488216
N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride
CID 120828272
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 39583642
N-(2-ethylcyclopropyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 56790893
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 35345100
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27666255
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide
CID 43047504
N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27667349
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 17427830

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 47041344) is N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is CCC(CC)(CNC(=O)c1cccnc1SCc1cc(C)on1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is WDXKKNRGGWYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-6-19(7-2,23(4)5)13-21-17(24)16-9-8-10-20-18(16)26-12-15-11-14(3)25-22-15/h8-11H,6-7,12-13H2,1-5H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 47041344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).