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

C26H24FN3O5 — CID 87493689

IUPAC[4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
SMILESO=Cc1ccc(-c2cccc(Oc3ncc(F)cc3C(=O)NC3CCC(NC(=O)O)CC3)c2)cc1
InChIInChI=1S/C26H24FN3O5/c27-19-13-23(24(32)29-20-8-10-21(11-9-20)30-26(33)34)25(28-14-19)35-22-3-1-2-18(12-22)17-6-4-16(15-31)5-7-17/h1-7,12-15,20-21,30H,8-11H2,(H,29,32)(H,33,34)
InChIKeyLNTOBORDHHYQDK-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.80
Rot. Bonds7

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

[4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid (PubChem CID 87493689) has the molecular formula C26H24FN3O5 and a molecular weight of 477.49 g/mol. Its IUPAC name is [4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
PubChem CID87493689
Molecular FormulaC26H24FN3O5
Molecular Weight477.49 g/mol
Exact Mass477.17
IUPAC Name[4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
SMILESO=Cc1ccc(-c2cccc(Oc3ncc(F)cc3C(=O)NC3CCC(NC(=O)O)CC3)c2)cc1
InChIInChI=1S/C26H24FN3O5/c27-19-13-23(24(32)29-20-8-10-21(11-9-20)30-26(33)34)25(28-14-19)35-22-3-1-2-18(12-22)17-6-4-16(15-31)5-7-17/h1-7,12-15,20-21,30H,8-11H2,(H,29,32)(H,33,34)
InChIKeyLNTOBORDHHYQDK-UHFFFAOYSA-N
XLogP4.80
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 87492957
[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 68544421
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-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane)
CID 173092347
[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
2-[3-(2-chloro-3-formylphenyl)phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 87492990
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
[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591179
N-[4-[[5-fluoro-2-[3-[4-[3-(3-hydroxypropylamino)propyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2-methyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 70240068
2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 44518169
3-[4-[3-[[3-[[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]carbamoyl]-5-fluoro-2-pyridinyl]oxy]phenyl]phenyl]propyl methanesulfonate
CID 87492981
2-[4-[3-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]oxy]phenyl]phenyl]ethyl methanesulfonate
CID 87491660

Frequently Asked Questions

What is the IUPAC name of [4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid (CID 87493689) is [4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid is O=Cc1ccc(-c2cccc(Oc3ncc(F)cc3C(=O)NC3CCC(NC(=O)O)CC3)c2)cc1.
What is the InChIKey of [4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The InChIKey is LNTOBORDHHYQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O5/c27-19-13-23(24(32)29-20-8-10-21(11-9-20)30-26(33)34)25(28-14-19)35-22-3-1-2-18(12-22)17-6-4-16(15-31)5-7-17/h1-7,12-15,20-21,30H,8-11H2,(H,29,32)(H,33,34).
What are the key properties of [4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
[4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid has a molecular weight of 477.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 87493689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).