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

C20H21F3N2O3 — CID 67105005

IUPACN-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cn(Cc2ccccc2C(F)(F)F)c(=O)cc1O
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)16-9-5-4-6-13(16)11-25-12-15(17(26)10-18(25)27)19(28)24-14-7-2-1-3-8-14/h4-6,9-10,12,14,26H,1-3,7-8,11H2,(H,24,28)
InChIKeyDYIPWWGBZHHPAW-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.68
Rot. Bonds4

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

N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 67105005) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID67105005
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cn(Cc2ccccc2C(F)(F)F)c(=O)cc1O
InChIInChI=1S/C20H21F3N2O3/c21-20(22,23)16-9-5-4-6-13(16)11-25-12-15(17(26)10-18(25)27)19(28)24-14-7-2-1-3-8-14/h4-6,9-10,12,14,26H,1-3,7-8,11H2,(H,24,28)
InChIKeyDYIPWWGBZHHPAW-UHFFFAOYSA-N
XLogP3.68
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide
CID 67104414
N-cyclohexyl-4-hydroxy-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 67104862
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 166031134
2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid
CID 58238111
N-cyclohexyl-2,6-bis(trifluoromethyl)benzamide
CID 164895040
1-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 115596868
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119619762
1-cyclopentyl-3-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 116508388
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766
N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 25294724
N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide
CID 171921545

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 67105005) is N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NC1CCCCC1)c1cn(Cc2ccccc2C(F)(F)F)c(=O)cc1O.
What is the InChIKey of N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is DYIPWWGBZHHPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c21-20(22,23)16-9-5-4-6-13(16)11-25-12-15(17(26)10-18(25)27)19(28)24-14-7-2-1-3-8-14/h4-6,9-10,12,14,26H,1-3,7-8,11H2,(H,24,28).
What are the key properties of N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 67105005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).