N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide

C11H16N2OS — CID 47038893

IUPACN-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1SC(C)C
InChIInChI=1S/C11H16N2OS/c1-4-12-10(14)9-6-5-7-13-11(9)15-8(2)3/h5-8H,4H2,1-3H3,(H,12,14)
InChIKeyQHWFRKUVSWOOFE-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.33
Rot. Bonds4

About N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide

N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide (PubChem CID 47038893) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
PubChem CID47038893
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1SC(C)C
InChIInChI=1S/C11H16N2OS/c1-4-12-10(14)9-6-5-7-13-11(9)15-8(2)3/h5-8H,4H2,1-3H3,(H,12,14)
InChIKeyQHWFRKUVSWOOFE-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 46489598
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 47038910
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 46488288
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 33275524
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 30711153
2-but-1-ynyl-N-ethylpyridine-3-carboxamide
CID 176699575
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide (CID 47038893) is N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide is CCNC(=O)c1cccnc1SC(C)C.
What is the InChIKey of N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The InChIKey is QHWFRKUVSWOOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-4-12-10(14)9-6-5-7-13-11(9)15-8(2)3/h5-8H,4H2,1-3H3,(H,12,14).
What are the key properties of N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 47038893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).