2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine

C35H37N5O4 — CID 102518758

IUPAC2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine
SMILESC[C@@H](COCc1cccc(COC[C@H](C)OCc2cccc(-c3ccccn3)n2)n1)OCc1cccc(-c2ccccn2)n1
InChIInChI=1S/C35H37N5O4/c1-26(43-24-30-12-8-16-34(39-30)32-14-3-5-18-36-32)20-41-22-28-10-7-11-29(38-28)23-42-21-27(2)44-25-31-13-9-17-35(40-31)33-15-4-6-19-37-33/h3-19,26-27H,20-25H2,1-2H3/t26-,27-/m0/s1
InChIKeyPVXBDFCFAWIHQG-SVBPBHIXSA-N
MW591.71 g/mol
LogP6.24
Rot. Bonds16

About 2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine

2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine (PubChem CID 102518758) has the molecular formula C35H37N5O4 and a molecular weight of 591.71 g/mol. Its IUPAC name is 2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine
PubChem CID102518758
Molecular FormulaC35H37N5O4
Molecular Weight591.71 g/mol
Exact Mass591.28
IUPAC Name2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine
SMILESC[C@@H](COCc1cccc(COC[C@H](C)OCc2cccc(-c3ccccn3)n2)n1)OCc1cccc(-c2ccccn2)n1
InChIInChI=1S/C35H37N5O4/c1-26(43-24-30-12-8-16-34(39-30)32-14-3-5-18-36-32)20-41-22-28-10-7-11-29(38-28)23-42-21-27(2)44-25-31-13-9-17-35(40-31)33-15-4-6-19-37-33/h3-19,26-27H,20-25H2,1-2H3/t26-,27-/m0/s1
InChIKeyPVXBDFCFAWIHQG-SVBPBHIXSA-N
XLogP6.24
TPSA101.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine?
The IUPAC name of 2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine (CID 102518758) is 2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine.
What is the SMILES notation for 2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine?
The canonical SMILES for 2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine is C[C@@H](COCc1cccc(COC[C@H](C)OCc2cccc(-c3ccccn3)n2)n1)OCc1cccc(-c2ccccn2)n1.
What is the InChIKey of 2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine?
The InChIKey is PVXBDFCFAWIHQG-SVBPBHIXSA-N. The full InChI is InChI=1S/C35H37N5O4/c1-26(43-24-30-12-8-16-34(39-30)32-14-3-5-18-36-32)20-41-22-28-10-7-11-29(38-28)23-42-21-27(2)44-25-31-13-9-17-35(40-31)33-15-4-6-19-37-33/h3-19,26-27H,20-25H2,1-2H3/t26-,27-/m0/s1.
What are the key properties of 2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine?
2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine has a molecular weight of 591.71 g/mol, XLogP of 6.24, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[[(2S)-2-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propoxy]methyl]pyridine is sourced from PubChem (CID 102518758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).