(1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol

C18H24N2O2 — CID 102577274

IUPAC(1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1cccc(-c2cccc([C@@H](O)C(C)C)n2)n1
InChIInChI=1S/C18H24N2O2/c1-11(2)17(21)15-9-5-7-13(19-15)14-8-6-10-16(20-14)18(22)12(3)4/h5-12,17-18,21-22H,1-4H3/t17-,18-/m0/s1
InChIKeyWLGAYSOZUBCGCO-ROUUACIJSA-N
MW300.40 g/mol
LogP3.52
Rot. Bonds5

About (1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol

(1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol (PubChem CID 102577274) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol
PubChem CID102577274
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1cccc(-c2cccc([C@@H](O)C(C)C)n2)n1
InChIInChI=1S/C18H24N2O2/c1-11(2)17(21)15-9-5-7-13(19-15)14-8-6-10-16(20-14)18(22)12(3)4/h5-12,17-18,21-22H,1-4H3/t17-,18-/m0/s1
InChIKeyWLGAYSOZUBCGCO-ROUUACIJSA-N
XLogP3.52
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol (CID 102577274) is (1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol is CC(C)[C@H](O)c1cccc(-c2cccc([C@@H](O)C(C)C)n2)n1.
What is the InChIKey of (1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol?
The InChIKey is WLGAYSOZUBCGCO-ROUUACIJSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11(2)17(21)15-9-5-7-13(19-15)14-8-6-10-16(20-14)18(22)12(3)4/h5-12,17-18,21-22H,1-4H3/t17-,18-/m0/s1.
What are the key properties of (1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol?
(1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol has a molecular weight of 300.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol is sourced from PubChem (CID 102577274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).