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

C11H16N2O2S — CID 103799099

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccccn1
InChIInChI=1S/C11H16N2O2S/c1-8(10(7-14)16-2)13-11(15)9-5-3-4-6-12-9/h3-6,8,10,14H,7H2,1-2H3,(H,13,15)
InChIKeyWSNFEOJVHPFPGP-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.92
Rot. Bonds5

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

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 103799099) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
PubChem CID103799099
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccccn1
InChIInChI=1S/C11H16N2O2S/c1-8(10(7-14)16-2)13-11(15)9-5-3-4-6-12-9/h3-6,8,10,14H,7H2,1-2H3,(H,13,15)
InChIKeyWSNFEOJVHPFPGP-UHFFFAOYSA-N
XLogP0.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 75384422
5-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 106152400
6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103917016
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide
CID 103801417
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbenzamide
CID 107168142
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
CID 104629795
N-[(2S)-3-hydroxy-1-[4-[[(2S)-3-hydroxy-2-(pyridine-2-carbonylamino)propanoyl]amino]butylamino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 18666428

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (CID 103799099) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is CSC(CO)C(C)NC(=O)c1ccccn1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is WSNFEOJVHPFPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(10(7-14)16-2)13-11(15)9-5-3-4-6-12-9/h3-6,8,10,14H,7H2,1-2H3,(H,13,15).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 103799099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).