3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C23H28N2O2 — CID 46703036

IUPAC3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCCC(CC)Oc1cc(OC)ccc1/C=C1\CCCN=C1c1cccnc1
InChIInChI=1S/C23H28N2O2/c1-4-20(5-2)27-22-15-21(26-3)11-10-17(22)14-18-8-7-13-25-23(18)19-9-6-12-24-16-19/h6,9-12,14-16,20H,4-5,7-8,13H2,1-3H3/b18-14+
InChIKeyCXIINIOUASRFIP-NBVRZTHBSA-N
MW364.49 g/mol
LogP5.32
Rot. Bonds7

About 3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 46703036) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID46703036
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCCC(CC)Oc1cc(OC)ccc1/C=C1\CCCN=C1c1cccnc1
InChIInChI=1S/C23H28N2O2/c1-4-20(5-2)27-22-15-21(26-3)11-10-17(22)14-18-8-7-13-25-23(18)19-9-6-12-24-16-19/h6,9-12,14-16,20H,4-5,7-8,13H2,1-3H3/b18-14+
InChIKeyCXIINIOUASRFIP-NBVRZTHBSA-N
XLogP5.32
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 46703036) is 3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is CCC(CC)Oc1cc(OC)ccc1/C=C1\CCCN=C1c1cccnc1.
What is the InChIKey of 3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is CXIINIOUASRFIP-NBVRZTHBSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-20(5-2)27-22-15-21(26-3)11-10-17(22)14-18-8-7-13-25-23(18)19-9-6-12-24-16-19/h6,9-12,14-16,20H,4-5,7-8,13H2,1-3H3/b18-14+.
What are the key properties of 3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 364.49 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[(4-methoxy-2-pentan-3-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 46703036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).