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

C22H17N3O — CID 46830611

IUPACN-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1
InChIInChI=1S/C22H17N3O/c1-2-7-17(8-3-1)20-9-6-16-24-22(20)26-19-13-11-18(12-14-19)25-21-10-4-5-15-23-21/h1-16H,(H,23,25)
InChIKeyWXIBVYHNQSLJMN-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.68
Rot. Bonds5

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

N-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (PubChem CID 46830611) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
PubChem CID46830611
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC NameN-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1
InChIInChI=1S/C22H17N3O/c1-2-7-17(8-3-1)20-9-6-16-24-22(20)26-19-13-11-18(12-14-19)25-21-10-4-5-15-23-21/h1-16H,(H,23,25)
InChIKeyWXIBVYHNQSLJMN-UHFFFAOYSA-N
XLogP5.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (CID 46830611) is N-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is c1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1.
What is the InChIKey of N-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The InChIKey is WXIBVYHNQSLJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-2-7-17(8-3-1)20-9-6-16-24-22(20)26-19-13-11-18(12-14-19)25-21-10-4-5-15-23-21/h1-16H,(H,23,25).
What are the key properties of N-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
N-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine has a molecular weight of 339.40 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 46830611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).