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

C20H15N5O — CID 46834932

IUPACN-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)nc1
InChIInChI=1S/C20H15N5O/c1-2-11-22-19(5-1)25-15-6-8-16(9-7-15)26-20-17(4-3-12-23-20)18-10-13-21-14-24-18/h1-14H,(H,22,25)
InChIKeyVXFGFZRXADIAEG-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.47
Rot. Bonds5

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

N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (PubChem CID 46834932) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
PubChem CID46834932
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC NameN-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)nc1
InChIInChI=1S/C20H15N5O/c1-2-11-22-19(5-1)25-15-6-8-16(9-7-15)26-20-17(4-3-12-23-20)18-10-13-21-14-24-18/h1-14H,(H,22,25)
InChIKeyVXFGFZRXADIAEG-UHFFFAOYSA-N
XLogP4.47
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (CID 46834932) is N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is c1ccc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)nc1.
What is the InChIKey of N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The InChIKey is VXFGFZRXADIAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-2-11-22-19(5-1)25-15-6-8-16(9-7-15)26-20-17(4-3-12-23-20)18-10-13-21-14-24-18/h1-14H,(H,22,25).
What are the key properties of N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine has a molecular weight of 341.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 46834932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).