4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine

C20H28N2 — CID 125129263

IUPAC4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine
SMILESCCCC[C@H](c1ccncc1)[C@H](CCCC)c1ccncc1
InChIInChI=1S/C20H28N2/c1-3-5-7-19(17-9-13-21-14-10-17)20(8-6-4-2)18-11-15-22-16-12-18/h9-16,19-20H,3-8H2,1-2H3/t19-,20-/m1/s1
InChIKeyQVSDFKJROOEBCK-WOJBJXKFSA-N
MW296.46 g/mol
LogP5.72
Rot. Bonds9

About 4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine

4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine (PubChem CID 125129263) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine.

Molecular Properties

Compound Name4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine
PubChem CID125129263
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine
SMILESCCCC[C@H](c1ccncc1)[C@H](CCCC)c1ccncc1
InChIInChI=1S/C20H28N2/c1-3-5-7-19(17-9-13-21-14-10-17)20(8-6-4-2)18-11-15-22-16-12-18/h9-16,19-20H,3-8H2,1-2H3/t19-,20-/m1/s1
InChIKeyQVSDFKJROOEBCK-WOJBJXKFSA-N
XLogP5.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine?
The IUPAC name of 4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine (CID 125129263) is 4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine.
What is the SMILES notation for 4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine?
The canonical SMILES for 4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine is CCCC[C@H](c1ccncc1)[C@H](CCCC)c1ccncc1.
What is the InChIKey of 4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine?
The InChIKey is QVSDFKJROOEBCK-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H28N2/c1-3-5-7-19(17-9-13-21-14-10-17)20(8-6-4-2)18-11-15-22-16-12-18/h9-16,19-20H,3-8H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of 4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine?
4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine has a molecular weight of 296.46 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine is sourced from PubChem (CID 125129263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).