N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide

C16H21F3N2OS — CID 42943300

IUPACN-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2cccnc2SCC(F)(F)F)C1C
InChIInChI=1S/C16H21F3N2OS/c1-10-5-3-7-13(11(10)2)21-14(22)12-6-4-8-20-15(12)23-9-16(17,18)19/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,21,22)
InChIKeyDPLXMHAMUMQAIC-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.29
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide

N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide (PubChem CID 42943300) has the molecular formula C16H21F3N2OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
PubChem CID42943300
Molecular FormulaC16H21F3N2OS
Molecular Weight346.42 g/mol
Exact Mass346.13
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2cccnc2SCC(F)(F)F)C1C
InChIInChI=1S/C16H21F3N2OS/c1-10-5-3-7-13(11(10)2)21-14(22)12-6-4-8-20-15(12)23-9-16(17,18)19/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,21,22)
InChIKeyDPLXMHAMUMQAIC-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 11881762
N-(2,3-dimethylcyclohexyl)-8-hydroxyquinoline-7-carboxamide
CID 18372471
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51925941
N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 78811351
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
CID 80718134
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
2-amino-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 53334696
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349705
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349621
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 55391888
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 31750999

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide (CID 42943300) is N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide is CC1CCCC(NC(=O)c2cccnc2SCC(F)(F)F)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is DPLXMHAMUMQAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2OS/c1-10-5-3-7-13(11(10)2)21-14(22)12-6-4-8-20-15(12)23-9-16(17,18)19/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide?
N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 42943300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).