4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol

C26H25N3O — CID 135529495

IUPAC4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol
SMILESCCCN(Cc1ccccn1)c1cc(-c2ccccc2)cc(-c2ccc(O)cc2)n1
InChIInChI=1S/C26H25N3O/c1-2-16-29(19-23-10-6-7-15-27-23)26-18-22(20-8-4-3-5-9-20)17-25(28-26)21-11-13-24(30)14-12-21/h3-15,17-18,30H,2,16,19H2,1H3
InChIKeyOLJCLKKBFIOFSK-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.93
Rot. Bonds7

About 4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol

4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol (PubChem CID 135529495) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol
PubChem CID135529495
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol
SMILESCCCN(Cc1ccccn1)c1cc(-c2ccccc2)cc(-c2ccc(O)cc2)n1
InChIInChI=1S/C26H25N3O/c1-2-16-29(19-23-10-6-7-15-27-23)26-18-22(20-8-4-3-5-9-20)17-25(28-26)21-11-13-24(30)14-12-21/h3-15,17-18,30H,2,16,19H2,1H3
InChIKeyOLJCLKKBFIOFSK-UHFFFAOYSA-N
XLogP5.93
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol?
The IUPAC name of 4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol (CID 135529495) is 4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol.
What is the SMILES notation for 4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol?
The canonical SMILES for 4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol is CCCN(Cc1ccccn1)c1cc(-c2ccccc2)cc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol?
The InChIKey is OLJCLKKBFIOFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-2-16-29(19-23-10-6-7-15-27-23)26-18-22(20-8-4-3-5-9-20)17-25(28-26)21-11-13-24(30)14-12-21/h3-15,17-18,30H,2,16,19H2,1H3.
What are the key properties of 4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol?
4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol has a molecular weight of 395.51 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-6-[propyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]phenol is sourced from PubChem (CID 135529495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).