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

C22H20N2O — CID 15982063

IUPAC3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCOc1ccc2cc(/C=C3\CCCN=C3c3cccnc3)ccc2c1
InChIInChI=1S/C22H20N2O/c1-25-21-9-8-17-12-16(6-7-18(17)14-21)13-19-4-3-11-24-22(19)20-5-2-10-23-15-20/h2,5-10,12-15H,3-4,11H2,1H3/b19-13+
InChIKeyFTHAZXRFZXGUAU-CPNJWEJPSA-N
MW328.42 g/mol
LogP4.91
Rot. Bonds3

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

3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 15982063) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID15982063
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCOc1ccc2cc(/C=C3\CCCN=C3c3cccnc3)ccc2c1
InChIInChI=1S/C22H20N2O/c1-25-21-9-8-17-12-16(6-7-18(17)14-21)13-19-4-3-11-24-22(19)20-5-2-10-23-15-20/h2,5-10,12-15H,3-4,11H2,1H3/b19-13+
InChIKeyFTHAZXRFZXGUAU-CPNJWEJPSA-N
XLogP4.91
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 15982063) is 3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is COc1ccc2cc(/C=C3\CCCN=C3c3cccnc3)ccc2c1.
What is the InChIKey of 3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is FTHAZXRFZXGUAU-CPNJWEJPSA-N. The full InChI is InChI=1S/C22H20N2O/c1-25-21-9-8-17-12-16(6-7-18(17)14-21)13-19-4-3-11-24-22(19)20-5-2-10-23-15-20/h2,5-10,12-15H,3-4,11H2,1H3/b19-13+.
What are the key properties of 3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 328.42 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 15982063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).