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

C22H17FN4O2 — CID 59374315

IUPAC3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCOc1ncccc1-c1cccnc1Oc1ccc(Nc2ncccc2F)cc1
InChIInChI=1S/C22H17FN4O2/c1-28-21-17(5-2-13-25-21)18-6-3-14-26-22(18)29-16-10-8-15(9-11-16)27-20-19(23)7-4-12-24-20/h2-14H,1H3,(H,24,27)
InChIKeyODJBXQUBCORCAC-UHFFFAOYSA-N
MW388.40 g/mol
LogP5.22
Rot. Bonds6

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

3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 59374315) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID59374315
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCOc1ncccc1-c1cccnc1Oc1ccc(Nc2ncccc2F)cc1
InChIInChI=1S/C22H17FN4O2/c1-28-21-17(5-2-13-25-21)18-6-3-14-26-22(18)29-16-10-8-15(9-11-16)27-20-19(23)7-4-12-24-20/h2-14H,1H3,(H,24,27)
InChIKeyODJBXQUBCORCAC-UHFFFAOYSA-N
XLogP5.22
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.40
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 59374315) is 3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is COc1ncccc1-c1cccnc1Oc1ccc(Nc2ncccc2F)cc1.
What is the InChIKey of 3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is ODJBXQUBCORCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-28-21-17(5-2-13-25-21)18-6-3-14-26-22(18)29-16-10-8-15(9-11-16)27-20-19(23)7-4-12-24-20/h2-14H,1H3,(H,24,27).
What are the key properties of 3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 388.40 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 59374315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).