6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid

C22H23F3N2O4 — CID 58284104

IUPAC6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CC(=O)[C@H](CC2CCCCC2)n2ccc(C(F)(F)F)cc2=O)nc1
InChIInChI=1S/C22H23F3N2O4/c23-22(24,25)16-8-9-27(20(29)11-16)18(10-14-4-2-1-3-5-14)19(28)12-17-7-6-15(13-26-17)21(30)31/h6-9,11,13-14,18H,1-5,10,12H2,(H,30,31)/t18-/m0/s1
InChIKeyXWFHOEGLCNWLRZ-SFHVURJKSA-N
MW436.43 g/mol
LogP4.28
Rot. Bonds7

About 6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid

6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid (PubChem CID 58284104) has the molecular formula C22H23F3N2O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid
PubChem CID58284104
Molecular FormulaC22H23F3N2O4
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC Name6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CC(=O)[C@H](CC2CCCCC2)n2ccc(C(F)(F)F)cc2=O)nc1
InChIInChI=1S/C22H23F3N2O4/c23-22(24,25)16-8-9-27(20(29)11-16)18(10-14-4-2-1-3-5-14)19(28)12-17-7-6-15(13-26-17)21(30)31/h6-9,11,13-14,18H,1-5,10,12H2,(H,30,31)/t18-/m0/s1
InChIKeyXWFHOEGLCNWLRZ-SFHVURJKSA-N
XLogP4.28
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
6-Phenylnicotinic acid
CID 120118
2-Benzoylnicotinic acid
CID 824599
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752
6-(Trifluoromethyl)nicotinic acid
CID 2777551
4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic Acid
CID 893698
2,2'-Bipyridine-4,5'-dicarboxylic acid
CID 60018837
4-fluoro-3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
CID 68288012
(S)-6-(((4-(Trifluoromethyl)phenyl)(3-(trifluoromethyl)-pyridin-2-yl)methyl)carbamoyl)nicotinic Acid
CID 86687975
2-[2-[(1S,2S)-2-[[1-[4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclopentyl]ethyl]pyridine-3-carboxylic acid
CID 132055344
2-Phenylnicotinic acid
CID 97489
6-(2-(Pyrrolidin-1-yl)ethyl)nicotinic acid
CID 2737255

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid (CID 58284104) is 6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(CC(=O)[C@H](CC2CCCCC2)n2ccc(C(F)(F)F)cc2=O)nc1.
What is the InChIKey of 6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid?
The InChIKey is XWFHOEGLCNWLRZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23F3N2O4/c23-22(24,25)16-8-9-27(20(29)11-16)18(10-14-4-2-1-3-5-14)19(28)12-17-7-6-15(13-26-17)21(30)31/h6-9,11,13-14,18H,1-5,10,12H2,(H,30,31)/t18-/m0/s1.
What are the key properties of 6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid?
6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid has a molecular weight of 436.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-4-cyclohexyl-2-oxo-3-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]butyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58284104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).