[(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate

C23H24F3N3O4 — CID 173299381

IUPAC[(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate
SMILESC/C=C(/C)OC(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C23H24F3N3O4/c1-3-13(2)32-23(31)29-16-6-4-15(5-7-16)28-21(30)18-10-14(24)12-27-22(18)33-17-8-9-19(25)20(26)11-17/h3,8-12,15-16H,4-7H2,1-2H3,(H,28,30)(H,29,31)/b13-3-
InChIKeyUMRVEWNMSHVEBG-DXNYSGJVSA-N
MW463.46 g/mol
LogP4.98
Rot. Bonds6

About [(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate

[(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate (PubChem CID 173299381) has the molecular formula C23H24F3N3O4 and a molecular weight of 463.46 g/mol. Its IUPAC name is [(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Name[(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate
PubChem CID173299381
Molecular FormulaC23H24F3N3O4
Molecular Weight463.46 g/mol
Exact Mass463.17
IUPAC Name[(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate
SMILESC/C=C(/C)OC(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C23H24F3N3O4/c1-3-13(2)32-23(31)29-16-6-4-15(5-7-16)28-21(30)18-10-14(24)12-27-22(18)33-17-8-9-19(25)20(26)11-17/h3,8-12,15-16H,4-7H2,1-2H3,(H,28,30)(H,29,31)/b13-3-
InChIKeyUMRVEWNMSHVEBG-DXNYSGJVSA-N
XLogP4.98
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591179
N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 59984476
N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 10005507
[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride
CID 158441058
[4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591188
5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11283604
tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate
CID 142991783
N-[4-[(3,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11295208
5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl]pyridine-3-carboxamide
CID 59986452
N-(1-acetylpiperidin-4-yl)-2-(3,5-dimethyl-4-methylsulfanylphenoxy)-5-fluoropyridine-3-carboxamide
CID 59984450
[4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 87493689
N-[4-(chloroamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide;5-fluoro-2-(3-methylsulfanylphenoxy)-N-[4-(propanoylamino)cyclohexyl]pyridine-3-carboxamide
CID 159642889

Frequently Asked Questions

What is the IUPAC name of [(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate?
The IUPAC name of [(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate (CID 173299381) is [(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate.
What is the SMILES notation for [(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate?
The canonical SMILES for [(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate is C/C=C(/C)OC(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)c(F)c2)CC1.
What is the InChIKey of [(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate?
The InChIKey is UMRVEWNMSHVEBG-DXNYSGJVSA-N. The full InChI is InChI=1S/C23H24F3N3O4/c1-3-13(2)32-23(31)29-16-6-4-15(5-7-16)28-21(30)18-10-14(24)12-27-22(18)33-17-8-9-19(25)20(26)11-17/h3,8-12,15-16H,4-7H2,1-2H3,(H,28,30)(H,29,31)/b13-3-.
What are the key properties of [(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate?
[(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate has a molecular weight of 463.46 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 173299381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).