N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide

C12H18N2O2S — CID 95773940

IUPACN-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
SMILESCSC[C@](C)(O)CNC(=O)c1cccc(C)n1
InChIInChI=1S/C12H18N2O2S/c1-9-5-4-6-10(14-9)11(15)13-7-12(2,16)8-17-3/h4-6,16H,7-8H2,1-3H3,(H,13,15)/t12-/m1/s1
InChIKeyYPDUVDXXQAAYFM-GFCCVEGCSA-N
MW254.35 g/mol
LogP1.23
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide

N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide (PubChem CID 95773940) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
PubChem CID95773940
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
SMILESCSC[C@](C)(O)CNC(=O)c1cccc(C)n1
InChIInChI=1S/C12H18N2O2S/c1-9-5-4-6-10(14-9)11(15)13-7-12(2,16)8-17-3/h4-6,16H,7-8H2,1-3H3,(H,13,15)/t12-/m1/s1
InChIKeyYPDUVDXXQAAYFM-GFCCVEGCSA-N
XLogP1.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 136518357
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3-dimethylbenzamide
CID 103682088
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)isoquinoline-1-carboxamide
CID 103681634
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
CID 94540901
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfanylbenzamide
CID 113239555
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide
CID 90522960
6-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 114163806

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide (CID 95773940) is N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide is CSC[C@](C)(O)CNC(=O)c1cccc(C)n1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide?
The InChIKey is YPDUVDXXQAAYFM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-5-4-6-10(14-9)11(15)13-7-12(2,16)8-17-3/h4-6,16H,7-8H2,1-3H3,(H,13,15)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide?
N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 95773940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).