N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

C23H18FN3O2 — CID 59374200

IUPACN-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCOc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1F
InChIInChI=1S/C23H18FN3O2/c1-28-21-12-7-16(15-20(21)24)19-5-4-14-26-23(19)29-18-10-8-17(9-11-18)27-22-6-2-3-13-25-22/h2-15H,1H3,(H,25,27)
InChIKeyOKUFJLFRHXRITE-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.83
Rot. Bonds6

About N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 59374200) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID59374200
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCOc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1F
InChIInChI=1S/C23H18FN3O2/c1-28-21-12-7-16(15-20(21)24)19-5-4-14-26-23(19)29-18-10-8-17(9-11-18)27-22-6-2-3-13-25-22/h2-15H,1H3,(H,25,27)
InChIKeyOKUFJLFRHXRITE-UHFFFAOYSA-N
XLogP5.83
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 59374200) is N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is COc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1F.
What is the InChIKey of N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is OKUFJLFRHXRITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-28-21-12-7-16(15-20(21)24)19-5-4-14-26-23(19)29-18-10-8-17(9-11-18)27-22-6-2-3-13-25-22/h2-15H,1H3,(H,25,27).
What are the key properties of N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 387.41 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3-fluoro-4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 59374200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).