N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide

C12H18N2O2S — CID 66108999

IUPACN-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(C)CCO
InChIInChI=1S/C12H18N2O2S/c1-9(5-7-15)8-14-11(16)10-4-3-6-13-12(10)17-2/h3-4,6,9,15H,5,7-8H2,1-2H3,(H,14,16)
InChIKeyGZFQLTHFUWVZJA-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.55
Rot. Bonds6

About N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide

N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 66108999) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID66108999
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(C)CCO
InChIInChI=1S/C12H18N2O2S/c1-9(5-7-15)8-14-11(16)10-4-3-6-13-12(10)17-2/h3-4,6,9,15H,5,7-8H2,1-2H3,(H,14,16)
InChIKeyGZFQLTHFUWVZJA-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 66089719
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 95379231
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide
CID 114316893
2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964965
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
N-(4-hydroxy-2-methylpentyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111447058

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide (CID 66108999) is N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCC(C)CCO.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is GZFQLTHFUWVZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(5-7-15)8-14-11(16)10-4-3-6-13-12(10)17-2/h3-4,6,9,15H,5,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 66108999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).