5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine

C66H55N11O4 — CID 165000889

IUPAC5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine
SMILESCCc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1.Nc1ccc(Oc2ccc(-c3ccccn3)cc2)nc1.Nc1ccc(Oc2ccc(-c3cccnc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccncc3)cc2)nc1
InChIInChI=1S/C18H16N2O.3C16H13N3O/c1-2-14-8-11-18(20-12-14)21-16-9-10-17(19-13-16)15-6-4-3-5-7-15;17-14-3-6-16(19-11-14)20-15-4-1-12(2-5-15)13-7-9-18-10-8-13;17-14-5-8-16(19-11-14)20-15-6-3-12(4-7-15)13-2-1-9-18-10-13;17-13-6-9-16(19-11-13)20-14-7-4-12(5-8-14)15-3-1-2-10-18-15/h3-13H,2H2,1H3;3*1-11H,17H2
InChIKeyIFVBXKKWHZWSDQ-UHFFFAOYSA-N
MW1066.24 g/mol
LogP15.05
Rot. Bonds13

About 5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine

5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine (PubChem CID 165000889) has the molecular formula C66H55N11O4 and a molecular weight of 1066.24 g/mol. Its IUPAC name is 5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine
PubChem CID165000889
Molecular FormulaC66H55N11O4
Molecular Weight1066.24 g/mol
Exact Mass1065.44
IUPAC Name5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine
SMILESCCc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1.Nc1ccc(Oc2ccc(-c3ccccn3)cc2)nc1.Nc1ccc(Oc2ccc(-c3cccnc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccncc3)cc2)nc1
InChIInChI=1S/C18H16N2O.3C16H13N3O/c1-2-14-8-11-18(20-12-14)21-16-9-10-17(19-13-16)15-6-4-3-5-7-15;17-14-3-6-16(19-11-14)20-15-4-1-12(2-5-15)13-7-9-18-10-8-13;17-14-5-8-16(19-11-14)20-15-6-3-12(4-7-15)13-2-1-9-18-10-13;17-13-6-9-16(19-11-13)20-14-7-4-12(5-8-14)15-3-1-2-10-18-15/h3-13H,2H2,1H3;3*1-11H,17H2
InChIKeyIFVBXKKWHZWSDQ-UHFFFAOYSA-N
XLogP15.05
TPSA218.10 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001066.24
LogP ≤ 515.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

Analyze 5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[3-[2-(4-aminophenoxy)ethyl]-4-phenylphenoxy]pyridin-3-amine;5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine
CID 165079543
4-ethyl-2-fluoro-1-(4-phenylphenoxy)benzene;5-ethyl-2-(4-phenylphenoxy)pyridine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
CID 164965802
6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
CID 155192033
2-phenyl-5-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]pyridine
CID 164953728
bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one
CID 158233833
3-fluoro-N-methyl-4-(4-phenylphenoxy)aniline;6-[4-(4-fluorophenyl)phenoxy]pyridin-3-amine;3-fluoro-4-(4-pyridin-2-ylphenoxy)aniline;3-fluoro-4-(4-pyridin-3-ylphenoxy)aniline;N-methyl-4-[3-methyl-4-(2-methylphenyl)phenoxy]aniline;N-methyl-6-(4-phenylphenoxy)pyridin-3-amine;6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
CID 165072162
6-(4-benzylphenoxy)pyridin-3-amine
CID 62274041
bis(2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine);3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;4-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 167601942
(6-pyridin-2-yl-3-pyridinyl)-bis(6-pyridin-3-yl-3-pyridinyl)-(6-pyridin-4-yl-3-pyridinyl)silane
CID 71124274
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 101019648
ethane;5-ethyl-2-pyridin-2-ylpyridine
CID 143067787

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine?
The IUPAC name of 5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine (CID 165000889) is 5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine.
What is the SMILES notation for 5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine?
The canonical SMILES for 5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine is CCc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1.Nc1ccc(Oc2ccc(-c3ccccn3)cc2)nc1.Nc1ccc(Oc2ccc(-c3cccnc3)cc2)nc1.Nc1ccc(Oc2ccc(-c3ccncc3)cc2)nc1.
What is the InChIKey of 5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine?
The InChIKey is IFVBXKKWHZWSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O.3C16H13N3O/c1-2-14-8-11-18(20-12-14)21-16-9-10-17(19-13-16)15-6-4-3-5-7-15;17-14-3-6-16(19-11-14)20-15-4-1-12(2-5-15)13-7-9-18-10-8-13;17-14-5-8-16(19-11-14)20-15-6-3-12(4-7-15)13-2-1-9-18-10-13;17-13-6-9-16(19-11-13)20-14-7-4-12(5-8-14)15-3-1-2-10-18-15/h3-13H,2H2,1H3;3*1-11H,17H2.
What are the key properties of 5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine?
5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine has a molecular weight of 1066.24 g/mol, XLogP of 15.05, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(6-phenyl-3-pyridinyl)oxy]pyridine;6-(4-pyridin-2-ylphenoxy)pyridin-3-amine;6-(4-pyridin-3-ylphenoxy)pyridin-3-amine;6-(4-pyridin-4-ylphenoxy)pyridin-3-amine is sourced from PubChem (CID 165000889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).