N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide

C12H18N2O3S — CID 56724202

IUPACN-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOCC(C)(O)CNC(=O)c1cccnc1SC
InChIInChI=1S/C12H18N2O3S/c1-12(16,8-17-2)7-14-10(15)9-5-4-6-13-11(9)18-3/h4-6,16H,7-8H2,1-3H3,(H,14,15)
InChIKeyDCFQKYASEBFPCI-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.93
Rot. Bonds6

About N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide

N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 56724202) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID56724202
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOCC(C)(O)CNC(=O)c1cccnc1SC
InChIInChI=1S/C12H18N2O3S/c1-12(16,8-17-2)7-14-10(15)9-5-4-6-13-11(9)18-3/h4-6,16H,7-8H2,1-3H3,(H,14,15)
InChIKeyDCFQKYASEBFPCI-UHFFFAOYSA-N
XLogP0.93
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 71782026
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide
CID 95368900
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500919
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97038547
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide (CID 56724202) is N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide is COCC(C)(O)CNC(=O)c1cccnc1SC.
What is the InChIKey of N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is DCFQKYASEBFPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(16,8-17-2)7-14-10(15)9-5-4-6-13-11(9)18-3/h4-6,16H,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 56724202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).