2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine

C35H37N5O4 — CID 102518759

IUPAC2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine
SMILESC[C@@H](COCc1cccc(-c2ccccn2)n1)OCc1cccc(CO[C@@H](C)COCc2cccc(-c3ccccn3)n2)n1
InChIInChI=1S/C35H37N5O4/c1-26(20-41-22-28-12-8-16-34(39-28)32-14-3-5-18-36-32)43-24-30-10-7-11-31(38-30)25-44-27(2)21-42-23-29-13-9-17-35(40-29)33-15-4-6-19-37-33/h3-19,26-27H,20-25H2,1-2H3/t26-,27-/m0/s1
InChIKeyCVDNALXXJANQFL-SVBPBHIXSA-N
MW591.71 g/mol
LogP6.24
Rot. Bonds16

About 2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine

2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine (PubChem CID 102518759) has the molecular formula C35H37N5O4 and a molecular weight of 591.71 g/mol. Its IUPAC name is 2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine
PubChem CID102518759
Molecular FormulaC35H37N5O4
Molecular Weight591.71 g/mol
Exact Mass591.28
IUPAC Name2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine
SMILESC[C@@H](COCc1cccc(-c2ccccn2)n1)OCc1cccc(CO[C@@H](C)COCc2cccc(-c3ccccn3)n2)n1
InChIInChI=1S/C35H37N5O4/c1-26(20-41-22-28-12-8-16-34(39-28)32-14-3-5-18-36-32)43-24-30-10-7-11-31(38-30)25-44-27(2)21-42-23-29-13-9-17-35(40-29)33-15-4-6-19-37-33/h3-19,26-27H,20-25H2,1-2H3/t26-,27-/m0/s1
InChIKeyCVDNALXXJANQFL-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

Analyze 2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine?
The IUPAC name of 2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine (CID 102518759) is 2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine.
What is the SMILES notation for 2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine?
The canonical SMILES for 2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine is C[C@@H](COCc1cccc(-c2ccccn2)n1)OCc1cccc(CO[C@@H](C)COCc2cccc(-c3ccccn3)n2)n1.
What is the InChIKey of 2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine?
The InChIKey is CVDNALXXJANQFL-SVBPBHIXSA-N. The full InChI is InChI=1S/C35H37N5O4/c1-26(20-41-22-28-12-8-16-34(39-28)32-14-3-5-18-36-32)43-24-30-10-7-11-31(38-30)25-44-27(2)21-42-23-29-13-9-17-35(40-29)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)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine?
2,6-bis[[(2S)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]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)-1-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]oxymethyl]pyridine is sourced from PubChem (CID 102518759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).