4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol

C26H25N3O — CID 135987666

IUPAC4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol
SMILESCCN(Cc1ccncc1)c1cc(-c2ccccc2)cc(-c2ccc(O)c(C)c2)n1
InChIInChI=1S/C26H25N3O/c1-3-29(18-20-11-13-27-14-12-20)26-17-23(21-7-5-4-6-8-21)16-24(28-26)22-9-10-25(30)19(2)15-22/h4-17,30H,3,18H2,1-2H3
InChIKeyTZDQHXIZIDYOCH-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.85
Rot. Bonds6

About 4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol

4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol (PubChem CID 135987666) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol.

Molecular Properties

Compound Name4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol
PubChem CID135987666
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol
SMILESCCN(Cc1ccncc1)c1cc(-c2ccccc2)cc(-c2ccc(O)c(C)c2)n1
InChIInChI=1S/C26H25N3O/c1-3-29(18-20-11-13-27-14-12-20)26-17-23(21-7-5-4-6-8-21)16-24(28-26)22-9-10-25(30)19(2)15-22/h4-17,30H,3,18H2,1-2H3
InChIKeyTZDQHXIZIDYOCH-UHFFFAOYSA-N
XLogP5.85
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The IUPAC name of 4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol (CID 135987666) is 4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol.
What is the SMILES notation for 4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The canonical SMILES for 4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol is CCN(Cc1ccncc1)c1cc(-c2ccccc2)cc(-c2ccc(O)c(C)c2)n1.
What is the InChIKey of 4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
The InChIKey is TZDQHXIZIDYOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-3-29(18-20-11-13-27-14-12-20)26-17-23(21-7-5-4-6-8-21)16-24(28-26)22-9-10-25(30)19(2)15-22/h4-17,30H,3,18H2,1-2H3.
What are the key properties of 4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol?
4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol has a molecular weight of 395.51 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[ethyl(pyridin-4-ylmethyl)amino]-4-phenyl-2-pyridinyl]-2-methylphenol is sourced from PubChem (CID 135987666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).