N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide

C15H16N2O2S — CID 43391291

IUPACN-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-20-15-12(8-5-9-16-15)14(19)17-10-13(18)11-6-3-2-4-7-11/h2-9,13,18H,10H2,1H3,(H,17,19)
InChIKeyUUSSPWNANMPRBQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.27
Rot. Bonds5

About N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide

N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 43391291) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID43391291
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-20-15-12(8-5-9-16-15)14(19)17-10-13(18)11-6-3-2-4-7-11/h2-9,13,18H,10H2,1H3,(H,17,19)
InChIKeyUUSSPWNANMPRBQ-UHFFFAOYSA-N
XLogP2.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 95379231
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97042451
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 121132753
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 131703199
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 41306594

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide (CID 43391291) is N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is UUSSPWNANMPRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-20-15-12(8-5-9-16-15)14(19)17-10-13(18)11-6-3-2-4-7-11/h2-9,13,18H,10H2,1H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 43391291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).