2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine

C26H33N3O2 — CID 146561627

IUPAC2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine
SMILESCCOCCCc1ccc(-c2cccc(-c3ccc(CCCOC(C)C)cn3)n2)nc1
InChIInChI=1S/C26H33N3O2/c1-4-30-16-6-8-21-12-14-23(27-18-21)25-10-5-11-26(29-25)24-15-13-22(19-28-24)9-7-17-31-20(2)3/h5,10-15,18-20H,4,6-9,16-17H2,1-3H3
InChIKeyQHIRLJYAUWWZDY-UHFFFAOYSA-N
MW419.57 g/mol
LogP5.53
Rot. Bonds12

About 2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine

2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine (PubChem CID 146561627) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine
PubChem CID146561627
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine
SMILESCCOCCCc1ccc(-c2cccc(-c3ccc(CCCOC(C)C)cn3)n2)nc1
InChIInChI=1S/C26H33N3O2/c1-4-30-16-6-8-21-12-14-23(27-18-21)25-10-5-11-26(29-25)24-15-13-22(19-28-24)9-7-17-31-20(2)3/h5,10-15,18-20H,4,6-9,16-17H2,1-3H3
InChIKeyQHIRLJYAUWWZDY-UHFFFAOYSA-N
XLogP5.53
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine?
The IUPAC name of 2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine (CID 146561627) is 2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine is CCOCCCc1ccc(-c2cccc(-c3ccc(CCCOC(C)C)cn3)n2)nc1.
What is the InChIKey of 2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine?
The InChIKey is QHIRLJYAUWWZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-4-30-16-6-8-21-12-14-23(27-18-21)25-10-5-11-26(29-25)24-15-13-22(19-28-24)9-7-17-31-20(2)3/h5,10-15,18-20H,4,6-9,16-17H2,1-3H3.
What are the key properties of 2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine?
2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine has a molecular weight of 419.57 g/mol, XLogP of 5.53, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethoxypropyl)-2-pyridinyl]-6-[5-(3-propan-2-yloxypropyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 146561627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).