3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide

C21H23F3N2O3 — CID 90342681

IUPAC3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)c1ccn(CCC(F)(F)F)c(=O)c1O
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)11-13-26-12-10-17(18(27)20(26)29)19(28)25-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10,12,15-16,27H,6-9,11,13H2,(H,25,28)
InChIKeyACWHTUOKWGNVIC-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.96
Rot. Bonds5

About 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide

3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide (PubChem CID 90342681) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
PubChem CID90342681
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)c1ccn(CCC(F)(F)F)c(=O)c1O
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)11-13-26-12-10-17(18(27)20(26)29)19(28)25-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10,12,15-16,27H,6-9,11,13H2,(H,25,28)
InChIKeyACWHTUOKWGNVIC-UHFFFAOYSA-N
XLogP3.96
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide
CID 71541976
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide
CID 86730086
3-hydroxy-N-[1-(3-methylphenyl)piperidin-4-yl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 90343446
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733345
2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
CID 112707991
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
1-ethyl-3-(4-phenylcyclohexyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111992588
4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 119716199
N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55594865
2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide
CID 79796546
3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
CID 64683408
4,5-dioxo-N-(4-phenylcyclohexyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide
CID 123584442

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide (CID 90342681) is 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide is O=C(NC1CCC(c2ccccc2)CC1)c1ccn(CCC(F)(F)F)c(=O)c1O.
What is the InChIKey of 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
The InChIKey is ACWHTUOKWGNVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c22-21(23,24)11-13-26-12-10-17(18(27)20(26)29)19(28)25-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10,12,15-16,27H,6-9,11,13H2,(H,25,28).
What are the key properties of 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1-(3,3,3-trifluoropropyl)pyridine-4-carboxamide is sourced from PubChem (CID 90342681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).