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

C18H18N2O — CID 11637689

IUPAC3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCOc1cccc(/C=C2\CCCN=C2c2cccnc2)c1
InChIInChI=1S/C18H18N2O/c1-21-17-8-2-5-14(12-17)11-15-6-4-10-20-18(15)16-7-3-9-19-13-16/h2-3,5,7-9,11-13H,4,6,10H2,1H3/b15-11+
InChIKeyLCPAGINWWFBDNO-RVDMUPIBSA-N
MW278.36 g/mol
LogP3.76
Rot. Bonds3

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

3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 11637689) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID11637689
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCOc1cccc(/C=C2\CCCN=C2c2cccnc2)c1
InChIInChI=1S/C18H18N2O/c1-21-17-8-2-5-14(12-17)11-15-6-4-10-20-18(15)16-7-3-9-19-13-16/h2-3,5,7-9,11-13H,4,6,10H2,1H3/b15-11+
InChIKeyLCPAGINWWFBDNO-RVDMUPIBSA-N
XLogP3.76
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 11637689) is 3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is COc1cccc(/C=C2\CCCN=C2c2cccnc2)c1.
What is the InChIKey of 3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is LCPAGINWWFBDNO-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H18N2O/c1-21-17-8-2-5-14(12-17)11-15-6-4-10-20-18(15)16-7-3-9-19-13-16/h2-3,5,7-9,11-13H,4,6,10H2,1H3/b15-11+.
What are the key properties of 3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 278.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[(3-methoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 11637689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).