N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide

C10H14N2O2S — CID 83032320

IUPACN-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC[C@@H](C)O
InChIInChI=1S/C10H14N2O2S/c1-7(13)6-12-9(14)8-4-3-5-11-10(8)15-2/h3-5,7,13H,6H2,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyWFFWTGZQOYHXAY-SSDOTTSWSA-N
MW226.30 g/mol
LogP0.91
Rot. Bonds4

About N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide

N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 83032320) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID83032320
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC[C@@H](C)O
InChIInChI=1S/C10H14N2O2S/c1-7(13)6-12-9(14)8-4-3-5-11-10(8)15-2/h3-5,7,13H,6H2,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyWFFWTGZQOYHXAY-SSDOTTSWSA-N
XLogP0.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 95379231
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-(2-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474928
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
N-(4-hydroxy-2-methylpentyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111447058
2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 166385426

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide (CID 83032320) is N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NC[C@@H](C)O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is WFFWTGZQOYHXAY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7(13)6-12-9(14)8-4-3-5-11-10(8)15-2/h3-5,7,13H,6H2,1-2H3,(H,12,14)/t7-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 83032320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).