N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide

C12H18N2O2S — CID 97247851

IUPACN-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide
SMILESCSC[C@H](CCO)NC(=O)c1cncc(C)c1
InChIInChI=1S/C12H18N2O2S/c1-9-5-10(7-13-6-9)12(16)14-11(3-4-15)8-17-2/h5-7,11,15H,3-4,8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyPKYZTIAKBLPLFO-NSHDSACASA-N
MW254.35 g/mol
LogP1.23
Rot. Bonds6

About N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide

N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide (PubChem CID 97247851) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide
PubChem CID97247851
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide
SMILESCSC[C@H](CCO)NC(=O)c1cncc(C)c1
InChIInChI=1S/C12H18N2O2S/c1-9-5-10(7-13-6-9)12(16)14-11(3-4-15)8-17-2/h5-7,11,15H,3-4,8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyPKYZTIAKBLPLFO-NSHDSACASA-N
XLogP1.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 75514374
(2R)-2-[(5-methylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906391
N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide
CID 114390011
N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide
CID 97247823
N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide
CID 97328538
5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
CID 164641680
N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide
CID 103529100
2,3,5,6-tetrafluoro-N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]benzamide
CID 97328543
N-(1-iodo-3-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 107859937
N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide
CID 77072497
5-hydroxy-N-(4-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 115283714
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide (CID 97247851) is N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide is CSC[C@H](CCO)NC(=O)c1cncc(C)c1.
What is the InChIKey of N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide?
The InChIKey is PKYZTIAKBLPLFO-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-5-10(7-13-6-9)12(16)14-11(3-4-15)8-17-2/h5-7,11,15H,3-4,8H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide?
N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 97247851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).