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

C20H14FN5O — CID 46834934

IUPAC4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESFc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)c1
InChIInChI=1S/C20H14FN5O/c21-14-7-11-23-19(12-14)26-15-3-5-16(6-4-15)27-20-17(2-1-9-24-20)18-8-10-22-13-25-18/h1-13H,(H,23,26)
InChIKeyNODDSMDTQVVEGK-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.61
Rot. Bonds5

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

4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (PubChem CID 46834934) has the molecular formula C20H14FN5O and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
PubChem CID46834934
Molecular FormulaC20H14FN5O
Molecular Weight359.36 g/mol
Exact Mass359.12
IUPAC Name4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESFc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)c1
InChIInChI=1S/C20H14FN5O/c21-14-7-11-23-19(12-14)26-15-3-5-16(6-4-15)27-20-17(2-1-9-24-20)18-8-10-22-13-25-18/h1-13H,(H,23,26)
InChIKeyNODDSMDTQVVEGK-UHFFFAOYSA-N
XLogP4.61
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The IUPAC name of 4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (CID 46834934) is 4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for 4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The canonical SMILES for 4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is Fc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)c1.
What is the InChIKey of 4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The InChIKey is NODDSMDTQVVEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O/c21-14-7-11-23-19(12-14)26-15-3-5-16(6-4-15)27-20-17(2-1-9-24-20)18-8-10-22-13-25-18/h1-13H,(H,23,26).
What are the key properties of 4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine has a molecular weight of 359.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 46834934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).