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

C20H22N2 — CID 11536605

IUPAC3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCc1cc(C)c(/C=C2\CCCN=C2c2cccnc2)c(C)c1
InChIInChI=1S/C20H22N2/c1-14-10-15(2)19(16(3)11-14)12-17-6-5-9-22-20(17)18-7-4-8-21-13-18/h4,7-8,10-13H,5-6,9H2,1-3H3/b17-12+
InChIKeyAYMITJFCXCZNGK-SFQUDFHCSA-N
MW290.41 g/mol
LogP4.67
Rot. Bonds2

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

3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 11536605) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID11536605
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCc1cc(C)c(/C=C2\CCCN=C2c2cccnc2)c(C)c1
InChIInChI=1S/C20H22N2/c1-14-10-15(2)19(16(3)11-14)12-17-6-5-9-22-20(17)18-7-4-8-21-13-18/h4,7-8,10-13H,5-6,9H2,1-3H3/b17-12+
InChIKeyAYMITJFCXCZNGK-SFQUDFHCSA-N
XLogP4.67
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 11536605) is 3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is Cc1cc(C)c(/C=C2\CCCN=C2c2cccnc2)c(C)c1.
What is the InChIKey of 3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is AYMITJFCXCZNGK-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H22N2/c1-14-10-15(2)19(16(3)11-14)12-17-6-5-9-22-20(17)18-7-4-8-21-13-18/h4,7-8,10-13H,5-6,9H2,1-3H3/b17-12+.
What are the key properties of 3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 290.41 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[(2,4,6-trimethylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 11536605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).