N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide

C13H18N2O2S — CID 114124257

IUPACN-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCSC1CCC(NC(=O)c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C13H18N2O2S/c1-18-10-7-5-9(6-8-10)14-13(17)11-3-2-4-12(16)15-11/h2-4,9-10H,5-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyZACCYBTVJCELAQ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.78
Rot. Bonds3

About N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide

N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 114124257) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID114124257
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCSC1CCC(NC(=O)c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C13H18N2O2S/c1-18-10-7-5-9(6-8-10)14-13(17)11-3-2-4-12(16)15-11/h2-4,9-10H,5-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyZACCYBTVJCELAQ-UHFFFAOYSA-N
XLogP1.78
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylsulfanylcyclohexyl)benzamide
CID 114124420
N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide
CID 107363122
N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040267
N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 131948637
N-(2-ethylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040337
6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
CID 107262114
N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040543
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362894
3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103708502
N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 103846215
N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43393266
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106122042

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide (CID 114124257) is N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide is CSC1CCC(NC(=O)c2cccc(=O)[nH]2)CC1.
What is the InChIKey of N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ZACCYBTVJCELAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-18-10-7-5-9(6-8-10)14-13(17)11-3-2-4-12(16)15-11/h2-4,9-10H,5-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide?
N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114124257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).