3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide

C19H16F2N4O2 — CID 11014107

IUPAC3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(N)c3)c(F)c(C)c2F)c1
InChIInChI=1S/C19H16F2N4O2/c1-10-15(20)18(26-13-6-2-4-11(8-13)17(23)24)25-19(16(10)21)27-14-7-3-5-12(22)9-14/h2-9H,22H2,1H3,(H3,23,24)
InChIKeyOGLUIQADIHCVKD-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.12
Rot. Bonds5

About 3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide

3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide (PubChem CID 11014107) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide
PubChem CID11014107
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(N)c3)c(F)c(C)c2F)c1
InChIInChI=1S/C19H16F2N4O2/c1-10-15(20)18(26-13-6-2-4-11(8-13)17(23)24)25-19(16(10)21)27-14-7-3-5-12(22)9-14/h2-9H,22H2,1H3,(H3,23,24)
InChIKeyOGLUIQADIHCVKD-UHFFFAOYSA-N
XLogP4.12
TPSA107.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
The IUPAC name of 3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide (CID 11014107) is 3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide.
What is the SMILES notation for 3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
The canonical SMILES for 3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(N)c3)c(F)c(C)c2F)c1.
What is the InChIKey of 3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
The InChIKey is OGLUIQADIHCVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-10-15(20)18(26-13-6-2-4-11(8-13)17(23)24)25-19(16(10)21)27-14-7-3-5-12(22)9-14/h2-9H,22H2,1H3,(H3,23,24).
What are the key properties of 3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide has a molecular weight of 370.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-aminophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide is sourced from PubChem (CID 11014107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).