6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide

C26H24F4N2O3 — CID 71541976

IUPAC6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide
SMILESCn1c(-c2cc(F)cc(C(F)(F)F)c2)cc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1=O
InChIInChI=1S/C26H24F4N2O3/c1-32-22(17-11-18(26(28,29)30)13-19(27)12-17)14-21(23(33)25(32)35)24(34)31-20-9-7-16(8-10-20)15-5-3-2-4-6-15/h2-6,11-14,16,20,33H,7-10H2,1H3,(H,31,34)
InChIKeyNJHKSLMUPBINDZ-UHFFFAOYSA-N
MW488.48 g/mol
LogP5.37
Rot. Bonds4

About 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide

6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide (PubChem CID 71541976) has the molecular formula C26H24F4N2O3 and a molecular weight of 488.48 g/mol. Its IUPAC name is 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide
PubChem CID71541976
Molecular FormulaC26H24F4N2O3
Molecular Weight488.48 g/mol
Exact Mass488.17
IUPAC Name6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide
SMILESCn1c(-c2cc(F)cc(C(F)(F)F)c2)cc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1=O
InChIInChI=1S/C26H24F4N2O3/c1-32-22(17-11-18(26(28,29)30)13-19(27)12-17)14-21(23(33)25(32)35)24(34)31-20-9-7-16(8-10-20)15-5-3-2-4-6-15/h2-6,11-14,16,20,33H,7-10H2,1H3,(H,31,34)
InChIKeyNJHKSLMUPBINDZ-UHFFFAOYSA-N
XLogP5.37
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.48
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide (CID 71541976) is 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide is Cn1c(-c2cc(F)cc(C(F)(F)F)c2)cc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1=O.
What is the InChIKey of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is NJHKSLMUPBINDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N2O3/c1-32-22(17-11-18(26(28,29)30)13-19(27)12-17)14-21(23(33)25(32)35)24(34)31-20-9-7-16(8-10-20)15-5-3-2-4-6-15/h2-6,11-14,16,20,33H,7-10H2,1H3,(H,31,34).
What are the key properties of 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide?
6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 488.48 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxo-N-(4-phenylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 71541976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).