2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

C23H26FN3O6 — CID 58238037

IUPAC2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESCc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(O)c(C(=O)NCC(=O)O)c2=O)c(F)c1
InChIInChI=1S/C23H26FN3O6/c1-13-7-8-14(17(24)9-13)11-27-12-16(21(31)26-15-5-3-2-4-6-15)20(30)19(23(27)33)22(32)25-10-18(28)29/h7-9,12,15,30H,2-6,10-11H2,1H3,(H,25,32)(H,26,31)(H,28,29)
InChIKeyXRERYGKXTBZCAO-UHFFFAOYSA-N
MW459.47 g/mol
LogP1.93
Rot. Bonds7

About 2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238037) has the molecular formula C23H26FN3O6 and a molecular weight of 459.47 g/mol. Its IUPAC name is 2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
PubChem CID58238037
Molecular FormulaC23H26FN3O6
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC Name2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESCc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(O)c(C(=O)NCC(=O)O)c2=O)c(F)c1
InChIInChI=1S/C23H26FN3O6/c1-13-7-8-14(17(24)9-13)11-27-12-16(21(31)26-15-5-3-2-4-6-15)20(30)19(23(27)33)22(32)25-10-18(28)29/h7-9,12,15,30H,2-6,10-11H2,1H3,(H,25,32)(H,26,31)(H,28,29)
InChIKeyXRERYGKXTBZCAO-UHFFFAOYSA-N
XLogP1.93
TPSA137.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[1-[(4-bromo-2-fluorophenyl)methyl]-5-[(3,4-dichlorophenyl)methylcarbamoyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238158
2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238055
N-cyclohexyl-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxopyridine-3-carboxamide
CID 67104414
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
(5E)-5-[(Z)-but-2-enylidene]-1-[(2-fluoro-4-methylphenyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-4-methylidenepyrrole-3-carboxamide
CID 144820332
N-cyclohexyl-5-methyl-2-(propylamino)benzamide
CID 62509311
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-[(2-fluoro-4-methylphenyl)methyl]-6-hydroxy-5,8-dioxo-2,9-diazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide
CID 161196409
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide
CID 82121275
2-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-(2-piperidin-1-ylethyl)quinoline-3-carbonyl]amino]acetic acid
CID 68916349
N-cyclohexyl-4-hydroxy-6-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 67105005

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (CID 58238037) is 2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is Cc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(O)c(C(=O)NCC(=O)O)c2=O)c(F)c1.
What is the InChIKey of 2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The InChIKey is XRERYGKXTBZCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O6/c1-13-7-8-14(17(24)9-13)11-27-12-16(21(31)26-15-5-3-2-4-6-15)20(30)19(23(27)33)22(32)25-10-18(28)29/h7-9,12,15,30H,2-6,10-11H2,1H3,(H,25,32)(H,26,31)(H,28,29).
What are the key properties of 2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 459.47 g/mol, XLogP of 1.93, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclohexylcarbamoyl)-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).