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

C20H20F4N2O3 — CID 67104414

IUPACN-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cn(Cc2ccc(C(F)(F)F)cc2F)c(=O)cc1O
InChIInChI=1S/C20H20F4N2O3/c21-16-8-13(20(22,23)24)7-6-12(16)10-26-11-15(17(27)9-18(26)28)19(29)25-14-4-2-1-3-5-14/h6-9,11,14,27H,1-5,10H2,(H,25,29)
InChIKeyQNGXNTHBEZSTRX-UHFFFAOYSA-N
MW412.38 g/mol
LogP3.82
Rot. Bonds4

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

N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide (PubChem CID 67104414) has the molecular formula C20H20F4N2O3 and a molecular weight of 412.38 g/mol. Its IUPAC name is N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide
PubChem CID67104414
Molecular FormulaC20H20F4N2O3
Molecular Weight412.38 g/mol
Exact Mass412.14
IUPAC NameN-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cn(Cc2ccc(C(F)(F)F)cc2F)c(=O)cc1O
InChIInChI=1S/C20H20F4N2O3/c21-16-8-13(20(22,23)24)7-6-12(16)10-26-11-15(17(27)9-18(26)28)19(29)25-14-4-2-1-3-5-14/h6-9,11,14,27H,1-5,10H2,(H,25,29)
InChIKeyQNGXNTHBEZSTRX-UHFFFAOYSA-N
XLogP3.82
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-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-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 67105005
N-cyclohexyl-4-hydroxy-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 67104862
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238037
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide
CID 58999142
1-cyclobutyl-3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]urea
CID 119070514
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide
CID 11670194
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
CID 167056111
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide (CID 67104414) is N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide is O=C(NC1CCCCC1)c1cn(Cc2ccc(C(F)(F)F)cc2F)c(=O)cc1O.
What is the InChIKey of N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide?
The InChIKey is QNGXNTHBEZSTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O3/c21-16-8-13(20(22,23)24)7-6-12(16)10-26-11-15(17(27)9-18(26)28)19(29)25-14-4-2-1-3-5-14/h6-9,11,14,27H,1-5,10H2,(H,25,29).
What are the key properties of N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide?
N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide has a molecular weight of 412.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 67104414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).