3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide

C25H24F2N4O3 — CID 10863579

IUPAC3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(C(=O)N4CCCCC4)c3)c(F)c(C)c2F)c1
InChIInChI=1S/C25H24F2N4O3/c1-15-20(26)23(33-18-9-5-7-16(13-18)22(28)29)30-24(21(15)27)34-19-10-6-8-17(14-19)25(32)31-11-3-2-4-12-31/h5-10,13-14H,2-4,11-12H2,1H3,(H3,28,29)
InChIKeyOSXDMSYVOBGVQD-UHFFFAOYSA-N
MW466.49 g/mol
LogP5.16
Rot. Bonds6

About 3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide

3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide (PubChem CID 10863579) has the molecular formula C25H24F2N4O3 and a molecular weight of 466.49 g/mol. Its IUPAC name is 3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide
PubChem CID10863579
Molecular FormulaC25H24F2N4O3
Molecular Weight466.49 g/mol
Exact Mass466.18
IUPAC Name3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(C(=O)N4CCCCC4)c3)c(F)c(C)c2F)c1
InChIInChI=1S/C25H24F2N4O3/c1-15-20(26)23(33-18-9-5-7-16(13-18)22(28)29)30-24(21(15)27)34-19-10-6-8-17(14-19)25(32)31-11-3-2-4-12-31/h5-10,13-14H,2-4,11-12H2,1H3,(H3,28,29)
InChIKeyOSXDMSYVOBGVQD-UHFFFAOYSA-N
XLogP5.16
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-{[6-(3-Carbamimidoylphenoxy)-3,5-difluoro-4-methylpyridin-2-yl]oxy}benzene-1-carboximidamide
CID 448061
N-(Trans-4-Aminocyclohexyl)-2,6-Bis(4-Carbamimidoylphenoxy)pyridine-4-Carboxamide
CID 66818162
3-[6-(5-Carbamimidoyl-2-methoxy-phenoxy)-3,5-difluoro-4-methyl-pyridin-2-yloxy]-N,N-dimethyl-benzamide
CID 10623670
2,6-Bis-(3-carbamimidoyl-phenoxy)-N-methyl-isonicotinamide
CID 10692579
2,6-Bis-(3-carbamimidoyl-phenoxy)-N,N-dimethyl-nicotinamide
CID 10764466
2,6-Bis(3-amidinophenoxy)pyridine-4-carboxamide
CID 10786604
3-[6-(2-Amino-5-carbamimidoyl-phenoxy)-3,5-difluoro-4-methyl-pyridin-2-yloxy]-N,N-dimethyl-benzamide
CID 10813043
3-{3,5-Difluoro-4-methyl-6-[3-(pyrrolidine-1-carbonyl)-phenoxy]-pyridin-2-yloxy}-benzamidine
CID 10874086
5-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-methyl-pyridin-2-yloxy]-N,N,N'',N''-tetramethyl-isophthalamide
CID 10918066
3-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-methyl-pyridin-2-yloxy]-N,N-diethyl-benzamide
CID 10994091
2-{3-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-methyl-pyridin-2-yloxy]-phenyl}-acetamide
CID 11004176
2-{3-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-methyl-pyridin-2-yloxy]-phenyl}-N,N-dimethyl-acetamide
CID 11004693

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide?
The IUPAC name of 3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide (CID 10863579) is 3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide.
What is the SMILES notation for 3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide?
The canonical SMILES for 3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(C(=O)N4CCCCC4)c3)c(F)c(C)c2F)c1.
What is the InChIKey of 3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide?
The InChIKey is OSXDMSYVOBGVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O3/c1-15-20(26)23(33-18-9-5-7-16(13-18)22(28)29)30-24(21(15)27)34-19-10-6-8-17(14-19)25(32)31-11-3-2-4-12-31/h5-10,13-14H,2-4,11-12H2,1H3,(H3,28,29).
What are the key properties of 3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide?
3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide has a molecular weight of 466.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-difluoro-4-methyl-6-[3-(piperidine-1-carbonyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide is sourced from PubChem (CID 10863579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).