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

C23H19N3O2 — CID 59374328

IUPACN-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCOc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C23H19N3O2/c1-27-20-7-4-6-17(16-20)21-8-5-15-25-23(21)28-19-12-10-18(11-13-19)26-22-9-2-3-14-24-22/h2-16H,1H3,(H,24,26)
InChIKeyOXPQNZRTSXRDJO-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.69
Rot. Bonds6

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

N-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 59374328) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID59374328
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCOc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C23H19N3O2/c1-27-20-7-4-6-17(16-20)21-8-5-15-25-23(21)28-19-12-10-18(11-13-19)26-22-9-2-3-14-24-22/h2-16H,1H3,(H,24,26)
InChIKeyOXPQNZRTSXRDJO-UHFFFAOYSA-N
XLogP5.69
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.69
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-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 59374328) is N-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is COc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1.
What is the InChIKey of N-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is OXPQNZRTSXRDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-27-20-7-4-6-17(16-20)21-8-5-15-25-23(21)28-19-12-10-18(11-13-19)26-22-9-2-3-14-24-22/h2-16H,1H3,(H,24,26).
What are the key properties of N-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
N-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 369.42 g/mol, XLogP of 5.69, 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-methoxyphenyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 59374328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).