[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium

C18H19F3N3O2+ — CID 58591179

IUPAC[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
SMILES[NH3+]C1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H18F3N3O2/c19-10-7-14(17(25)24-12-3-1-11(22)2-4-12)18(23-9-10)26-13-5-6-15(20)16(21)8-13/h5-9,11-12H,1-4,22H2,(H,24,25)/p+1
InChIKeyZGLDKKWUCYSRDX-UHFFFAOYSA-O
MW366.36 g/mol
LogP2.57
Rot. Bonds4

About [4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium

[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium (PubChem CID 58591179) has the molecular formula C18H19F3N3O2+ and a molecular weight of 366.36 g/mol. Its IUPAC name is [4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium.

Molecular Properties

Compound Name[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
PubChem CID58591179
Molecular FormulaC18H19F3N3O2+
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
SMILES[NH3+]C1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H18F3N3O2/c19-10-7-14(17(25)24-12-3-1-11(22)2-4-12)18(23-9-10)26-13-5-6-15(20)16(21)8-13/h5-9,11-12H,1-4,22H2,(H,24,25)/p+1
InChIKeyZGLDKKWUCYSRDX-UHFFFAOYSA-O
XLogP2.57
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium with MolForge

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Related Compounds

[4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591188
[(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 173299381
[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride
CID 158441058
N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 10005507
N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 59984476
[4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 87493689
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
[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591180
[4-[[5-fluoro-2-[3-(3-formyl-4-hydroxyphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 87492957
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
[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 68544421

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium?
The IUPAC name of [4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium (CID 58591179) is [4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium.
What is the SMILES notation for [4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium?
The canonical SMILES for [4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium is [NH3+]C1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)c(F)c2)CC1.
What is the InChIKey of [4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium?
The InChIKey is ZGLDKKWUCYSRDX-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18F3N3O2/c19-10-7-14(17(25)24-12-3-1-11(22)2-4-12)18(23-9-10)26-13-5-6-15(20)16(21)8-13/h5-9,11-12H,1-4,22H2,(H,24,25)/p+1.
What are the key properties of [4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium?
[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium has a molecular weight of 366.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium is sourced from PubChem (CID 58591179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).