[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid

C26H24FN3O6 — CID 87492957

IUPAC[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
SMILESO=Cc1cc(-c2cccc(Oc3ncc(F)cc3C(=O)NC3CCC(NC(=O)O)CC3)c2)ccc1O
InChIInChI=1S/C26H24FN3O6/c27-18-12-22(24(33)29-19-5-7-20(8-6-19)30-26(34)35)25(28-13-18)36-21-3-1-2-15(11-21)16-4-9-23(32)17(10-16)14-31/h1-4,9-14,19-20,30,32H,5-8H2,(H,29,33)(H,34,35)
InChIKeyRVKROMIHBKDELH-UHFFFAOYSA-N
MW493.49 g/mol
LogP4.51
Rot. Bonds7

About [4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid

[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid (PubChem CID 87492957) has the molecular formula C26H24FN3O6 and a molecular weight of 493.49 g/mol. Its IUPAC name is [4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
PubChem CID87492957
Molecular FormulaC26H24FN3O6
Molecular Weight493.49 g/mol
Exact Mass493.16
IUPAC Name[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
SMILESO=Cc1cc(-c2cccc(Oc3ncc(F)cc3C(=O)NC3CCC(NC(=O)O)CC3)c2)ccc1O
InChIInChI=1S/C26H24FN3O6/c27-18-12-22(24(33)29-19-5-7-20(8-6-19)30-26(34)35)25(28-13-18)36-21-3-1-2-15(11-21)16-4-9-23(32)17(10-16)14-31/h1-4,9-14,19-20,30,32H,5-8H2,(H,29,33)(H,34,35)
InChIKeyRVKROMIHBKDELH-UHFFFAOYSA-N
XLogP4.51
TPSA137.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 87493689
N-[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 87492853
[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 68544421
[4-[[2-[3-[3-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 68548369
[4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane)
CID 173092347
2-[3-(2-chloro-3-formylphenyl)phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 87492990
5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11283604
N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 10005507
[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591179
N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoro-2-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenoxy]pyridine-3-carboxamide
CID 59190510
N-[4-[(3,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11295208
2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoro-N-[4-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 90643915

Frequently Asked Questions

What is the IUPAC name of [4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid (CID 87492957) is [4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid is O=Cc1cc(-c2cccc(Oc3ncc(F)cc3C(=O)NC3CCC(NC(=O)O)CC3)c2)ccc1O.
What is the InChIKey of [4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The InChIKey is RVKROMIHBKDELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O6/c27-18-12-22(24(33)29-19-5-7-20(8-6-19)30-26(34)35)25(28-13-18)36-21-3-1-2-15(11-21)16-4-9-23(32)17(10-16)14-31/h1-4,9-14,19-20,30,32H,5-8H2,(H,29,33)(H,34,35).
What are the key properties of [4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid has a molecular weight of 493.49 g/mol, XLogP of 4.51, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 87492957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).