N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine

C25H21FN2O2 — CID 166168417

IUPACN-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine
SMILESFc1cccc(Nc2ccc(OCc3ccccc3)nc2OCc2ccccc2)c1
InChIInChI=1S/C25H21FN2O2/c26-21-12-7-13-22(16-21)27-23-14-15-24(29-17-19-8-3-1-4-9-19)28-25(23)30-18-20-10-5-2-6-11-20/h1-16,27H,17-18H2
InChIKeyTYRLLDBHXYMYLP-UHFFFAOYSA-N
MW400.45 g/mol
LogP6.12
Rot. Bonds8

About N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine

N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine (PubChem CID 166168417) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine
PubChem CID166168417
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC NameN-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine
SMILESFc1cccc(Nc2ccc(OCc3ccccc3)nc2OCc2ccccc2)c1
InChIInChI=1S/C25H21FN2O2/c26-21-12-7-13-22(16-21)27-23-14-15-24(29-17-19-8-3-1-4-9-19)28-25(23)30-18-20-10-5-2-6-11-20/h1-16,27H,17-18H2
InChIKeyTYRLLDBHXYMYLP-UHFFFAOYSA-N
XLogP6.12
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-Bis-(3-carbamimidoyl-phenoxy)-pyridin-3-yl]-acetamide
CID 10501400
2,6-Di[3-amino(imino)methylphenoxy]-3-pyridinamine
CID 10642387
2,6-Di[3-amino-phenyl carboxamide-(imino)methylphenoxy]-3-pyridinamine
CID 10838473
4-[[5-Amino-6-(4-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide
CID 76310068
[3-[3-[(5-Amino-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methanol
CID 137517851
6-(2,3-Difluorophenoxy)-2-methoxypyridin-3-amine
CID 63037947
2,6-Bis-(4-ethoxycarbonimidoyl-phenoxy)-3-(4-fluorobenzene-sulphonamido)-pyridine
CID 66818768
6-(benzyloxy)-N2-(2-fluorophenyl)pyridin-2,3-diamine
CID 67313485
1-[6-Methoxy-2-(2-propylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68527953
1-[2-(2-Butan-2-ylphenoxy)-6-methoxypyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68533412
N'-amino-2-[[3-amino-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]oxy]-N-imino-2-phenylethanimidamide
CID 78017377
N-[[2-(2-fluoroethoxy)phenyl]methyl]-2-phenoxypyridin-3-amine
CID 89025918

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine (CID 166168417) is N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine is Fc1cccc(Nc2ccc(OCc3ccccc3)nc2OCc2ccccc2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine?
The InChIKey is TYRLLDBHXYMYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2/c26-21-12-7-13-22(16-21)27-23-14-15-24(29-17-19-8-3-1-4-9-19)28-25(23)30-18-20-10-5-2-6-11-20/h1-16,27H,17-18H2.
What are the key properties of N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine?
N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine has a molecular weight of 400.45 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine is sourced from PubChem (CID 166168417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).