4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine

C23H19NO — CID 46901928

IUPAC4-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]pyridine
SMILESCOC1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)CC4=CC=NC=C4
InChIInChI=1S/C23H19NO/c1-25-23-9-8-21-15-20(6-7-22(21)16-23)19-4-2-17(3-5-19)14-18-10-12-24-13-11-18/h2-13,15-16H,14H2,1H3
InChIKeyXDUUJWUQYXFHEK-UHFFFAOYSA-N
MW325.40 g/mol
LogP5.60
Rot. Bonds4

About 4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine

4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine (PubChem CID 46901928) has the molecular formula C23H19NO and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine
PubChem CID46901928
Molecular FormulaC23H19NO
Molecular Weight325.40 g/mol
Exact Mass325.15
IUPAC Name4-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]pyridine
SMILESCOC1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)CC4=CC=NC=C4
InChIInChI=1S/C23H19NO/c1-25-23-9-8-21-15-20(6-7-22(21)16-23)19-4-2-17(3-5-19)14-18-10-12-24-13-11-18/h2-13,15-16H,14H2,1H3
InChIKeyXDUUJWUQYXFHEK-UHFFFAOYSA-N
XLogP5.60
TPSA22.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity397

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.40
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4680
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
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4-(6-Methoxynaphthalen-2-yl)isoquinoline
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3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
(3-Pyridylmethylene)indane 26a
CID 6539776
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine?
The IUPAC name of 4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine (CID 46901928) is 4-[[4-(6-methoxynaphthalen-2-yl)phenyl]methyl]pyridine.
What is the SMILES notation for 4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine?
The canonical SMILES for 4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine is COC1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)CC4=CC=NC=C4.
What is the InChIKey of 4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine?
The InChIKey is XDUUJWUQYXFHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-25-23-9-8-21-15-20(6-7-22(21)16-23)19-4-2-17(3-5-19)14-18-10-12-24-13-11-18/h2-13,15-16H,14H2,1H3.
What are the key properties of 4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine?
4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine has a molecular weight of 325.40 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine is sourced from PubChem (CID 46901928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).