2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol

C26H25N3O — CID 135529496

IUPAC2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)CCc3ccccn3)n2)ccc1O
InChIInChI=1S/C26H25N3O/c1-19-16-21(11-12-25(19)30)24-17-22(20-8-4-3-5-9-20)18-26(28-24)29(2)15-13-23-10-6-7-14-27-23/h3-12,14,16-18,30H,13,15H2,1-2H3
InChIKeyGREQBSJJGDAHBG-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.50
Rot. Bonds6

About 2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol

2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol (PubChem CID 135529496) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol
PubChem CID135529496
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc(N(C)CCc3ccccn3)n2)ccc1O
InChIInChI=1S/C26H25N3O/c1-19-16-21(11-12-25(19)30)24-17-22(20-8-4-3-5-9-20)18-26(28-24)29(2)15-13-23-10-6-7-14-27-23/h3-12,14,16-18,30H,13,15H2,1-2H3
InChIKeyGREQBSJJGDAHBG-UHFFFAOYSA-N
XLogP5.50
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 ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol?
The IUPAC name of 2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol (CID 135529496) is 2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol.
What is the SMILES notation for 2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol?
The canonical SMILES for 2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol is Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CCc3ccccn3)n2)ccc1O.
What is the InChIKey of 2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol?
The InChIKey is GREQBSJJGDAHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-19-16-21(11-12-25(19)30)24-17-22(20-8-4-3-5-9-20)18-26(28-24)29(2)15-13-23-10-6-7-14-27-23/h3-12,14,16-18,30H,13,15H2,1-2H3.
What are the key properties of 2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol?
2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol has a molecular weight of 395.51 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-[methyl(2-pyridin-2-ylethyl)amino]-4-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 135529496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).