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

C23H24F2N4O2 — CID 10949960

IUPAC3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(N(CC)CC)c3)c(F)c(C)c2F)c1
InChIInChI=1S/C23H24F2N4O2/c1-4-29(5-2)16-9-7-11-18(13-16)31-23-20(25)14(3)19(24)22(28-23)30-17-10-6-8-15(12-17)21(26)27/h6-13H,4-5H2,1-3H3,(H3,26,27)
InChIKeyQLNHHOTXGCZZGM-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.38
Rot. Bonds8

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

3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide (PubChem CID 10949960) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide
PubChem CID10949960
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(N(CC)CC)c3)c(F)c(C)c2F)c1
InChIInChI=1S/C23H24F2N4O2/c1-4-29(5-2)16-9-7-11-18(13-16)31-23-20(25)14(3)19(24)22(28-23)30-17-10-6-8-15(12-17)21(26)27/h6-13H,4-5H2,1-3H3,(H3,26,27)
InChIKeyQLNHHOTXGCZZGM-UHFFFAOYSA-N
XLogP5.38
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.38
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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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
The IUPAC name of 3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide (CID 10949960) is 3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide.
What is the SMILES notation for 3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
The canonical SMILES for 3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(Oc2nc(Oc3cccc(N(CC)CC)c3)c(F)c(C)c2F)c1.
What is the InChIKey of 3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
The InChIKey is QLNHHOTXGCZZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-4-29(5-2)16-9-7-11-18(13-16)31-23-20(25)14(3)19(24)22(28-23)30-17-10-6-8-15(12-17)21(26)27/h6-13H,4-5H2,1-3H3,(H3,26,27).
What are the key properties of 3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide?
3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide has a molecular weight of 426.47 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(diethylamino)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]benzenecarboximidamide is sourced from PubChem (CID 10949960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).