2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine

C37H34N6 — CID 101357427

IUPAC2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine
SMILESCc1ccc(-c2cccc(-c3ccc(CCCCCc4ccc(-c5cccc(-c6ccc(C)cn6)n5)nc4)cn3)n2)nc1
InChIInChI=1S/C37H34N6/c1-26-14-18-30(38-22-26)34-10-6-12-36(42-34)32-20-16-28(24-40-32)8-4-3-5-9-29-17-21-33(41-25-29)37-13-7-11-35(43-37)31-19-15-27(2)23-39-31/h6-7,10-25H,3-5,8-9H2,1-2H3
InChIKeyWAWUGBOKDAUOKM-UHFFFAOYSA-N
MW562.72 g/mol
LogP8.30
Rot. Bonds10

About 2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine

2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine (PubChem CID 101357427) has the molecular formula C37H34N6 and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine
PubChem CID101357427
Molecular FormulaC37H34N6
Molecular Weight562.72 g/mol
Exact Mass562.28
IUPAC Name2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine
SMILESCc1ccc(-c2cccc(-c3ccc(CCCCCc4ccc(-c5cccc(-c6ccc(C)cn6)n5)nc4)cn3)n2)nc1
InChIInChI=1S/C37H34N6/c1-26-14-18-30(38-22-26)34-10-6-12-36(42-34)32-20-16-28(24-40-32)8-4-3-5-9-29-17-21-33(41-25-29)37-13-7-11-35(43-37)31-19-15-27(2)23-39-31/h6-7,10-25H,3-5,8-9H2,1-2H3
InChIKeyWAWUGBOKDAUOKM-UHFFFAOYSA-N
XLogP8.30
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine (CID 101357427) is 2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine is Cc1ccc(-c2cccc(-c3ccc(CCCCCc4ccc(-c5cccc(-c6ccc(C)cn6)n5)nc4)cn3)n2)nc1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine?
The InChIKey is WAWUGBOKDAUOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N6/c1-26-14-18-30(38-22-26)34-10-6-12-36(42-34)32-20-16-28(24-40-32)8-4-3-5-9-29-17-21-33(41-25-29)37-13-7-11-35(43-37)31-19-15-27(2)23-39-31/h6-7,10-25H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine?
2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine has a molecular weight of 562.72 g/mol, XLogP of 8.30, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-6-[5-[5-[6-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]pentyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 101357427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).