2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine

C24H21N3 — CID 102075718

IUPAC2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
SMILESc1ccc(Cc2cc(Cc3ccccn3)cc(Cc3ccccn3)c2)nc1
InChIInChI=1S/C24H21N3/c1-4-10-25-22(7-1)16-19-13-20(17-23-8-2-5-11-26-23)15-21(14-19)18-24-9-3-6-12-27-24/h1-15H,16-18H2
InChIKeyRUPHPQUDQGDLES-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.64
Rot. Bonds6

About 2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine

2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine (PubChem CID 102075718) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
PubChem CID102075718
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
SMILESc1ccc(Cc2cc(Cc3ccccn3)cc(Cc3ccccn3)c2)nc1
InChIInChI=1S/C24H21N3/c1-4-10-25-22(7-1)16-19-13-20(17-23-8-2-5-11-26-23)15-21(14-19)18-24-9-3-6-12-27-24/h1-15H,16-18H2
InChIKeyRUPHPQUDQGDLES-UHFFFAOYSA-N
XLogP4.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(pyridin-2-ylmethyl)pyridine
CID 15271106
3-chloro-5-(pyridin-2-ylmethyl)benzoic acid
CID 107957282
2-benzylpyridine;(Z)-but-2-enedioic acid
CID 5356234
3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid
CID 19840714
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
[4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine
CID 68592017
2-[(2,5-dibromophenyl)methyl]pyridine
CID 152592828
4-benzyl-1-(pyridin-2-ylmethyl)pyridin-1-ium
CID 910896
[4-(pyridin-2-ylmethyl)phenyl] carbamate
CID 174850668
3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid
CID 96618745
2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine
CID 174659940
ethane;pyridin-2-ylmethanamine
CID 90791011

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine?
The IUPAC name of 2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine (CID 102075718) is 2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine?
The canonical SMILES for 2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine is c1ccc(Cc2cc(Cc3ccccn3)cc(Cc3ccccn3)c2)nc1.
What is the InChIKey of 2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine?
The InChIKey is RUPHPQUDQGDLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-4-10-25-22(7-1)16-19-13-20(17-23-8-2-5-11-26-23)15-21(14-19)18-24-9-3-6-12-27-24/h1-15H,16-18H2.
What are the key properties of 2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine?
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine has a molecular weight of 351.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 102075718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).