2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide

C13H19ClN2O2S — CID 106156530

IUPAC2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)C(CO)SC)cc(Cl)n1
InChIInChI=1S/C13H19ClN2O2S/c1-4-10-5-9(6-12(14)16-10)13(18)15-8(2)11(7-17)19-3/h5-6,8,11,17H,4,7H2,1-3H3,(H,15,18)
InChIKeyGYOQEUIMGHJUMC-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.14
Rot. Bonds6

About 2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide

2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 106156530) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
PubChem CID106156530
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)C(CO)SC)cc(Cl)n1
InChIInChI=1S/C13H19ClN2O2S/c1-4-10-5-9(6-12(14)16-10)13(18)15-8(2)11(7-17)19-3/h5-6,8,11,17H,4,7H2,1-3H3,(H,15,18)
InChIKeyGYOQEUIMGHJUMC-UHFFFAOYSA-N
XLogP2.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103801255
2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 107862756
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
CID 104629795
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985
2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 113493444
2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 103108307
2-chloro-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114152086
3-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylbenzamide
CID 103957572
N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 97235379
5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 103801487
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide
CID 107869123
2,5-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-3-carboxamide
CID 103798696

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (CID 106156530) is 2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is CCc1cc(C(=O)NC(C)C(CO)SC)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is GYOQEUIMGHJUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-4-10-5-9(6-12(14)16-10)13(18)15-8(2)11(7-17)19-3/h5-6,8,11,17H,4,7H2,1-3H3,(H,15,18).
What are the key properties of 2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 302.83 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 106156530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).