2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid

C23H24F3N3O7 — CID 58238111

IUPAC2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NC2CCCCC2)c(=O)n(Cc2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C23H24F3N3O7/c24-23(25,26)14-9-5-4-6-12(14)11-29-21(35)16(19(33)27-10-15(30)31)18(32)17(22(29)36)20(34)28-13-7-2-1-3-8-13/h4-6,9,13,32,35H,1-3,7-8,10-11H2,(H,27,33)(H,28,34)(H,30,31)
InChIKeyCJRFAIRYSNMRHJ-UHFFFAOYSA-N
MW511.45 g/mol
LogP2.20
Rot. Bonds7

About 2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid

2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238111) has the molecular formula C23H24F3N3O7 and a molecular weight of 511.45 g/mol. Its IUPAC name is 2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid
PubChem CID58238111
Molecular FormulaC23H24F3N3O7
Molecular Weight511.45 g/mol
Exact Mass511.16
IUPAC Name2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NC2CCCCC2)c(=O)n(Cc2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C23H24F3N3O7/c24-23(25,26)14-9-5-4-6-12(14)11-29-21(35)16(19(33)27-10-15(30)31)18(32)17(22(29)36)20(34)28-13-7-2-1-3-8-13/h4-6,9,13,32,35H,1-3,7-8,10-11H2,(H,27,33)(H,28,34)(H,30,31)
InChIKeyCJRFAIRYSNMRHJ-UHFFFAOYSA-N
XLogP2.20
TPSA157.96 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.45
LogP ≤ 52.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238055
N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 67105005
N-cyclohexyl-2,6-bis(trifluoromethyl)benzamide
CID 164895040
2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238170
2-[[1-(2-cyclohexylethyl)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685207
2-[[1-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24830878
2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238037
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582
1-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 115596868
1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522623
2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate
CID 58237987
1-cyclopentyl-3-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 116508388

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid (CID 58238111) is 2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(C(=O)NC2CCCCC2)c(=O)n(Cc2ccccc2C(F)(F)F)c1O.
What is the InChIKey of 2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is CJRFAIRYSNMRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O7/c24-23(25,26)14-9-5-4-6-12(14)11-29-21(35)16(19(33)27-10-15(30)31)18(32)17(22(29)36)20(34)28-13-7-2-1-3-8-13/h4-6,9,13,32,35H,1-3,7-8,10-11H2,(H,27,33)(H,28,34)(H,30,31).
What are the key properties of 2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid?
2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 511.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclohexylcarbamoyl)-2,4-dihydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).