3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine

C25H23NO3 — CID 25129122

IUPAC3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
SMILESCOc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc(OC)c2)cc1
InChIInChI=1S/C25H23NO3/c1-27-22-7-4-17(5-8-22)10-20-11-19-12-23(28-2)9-6-18(19)14-25(20)21-13-24(29-3)16-26-15-21/h4-9,11-16H,10H2,1-3H3
InChIKeyCLQYWOZOJFULEG-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.52
Rot. Bonds6

About 3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine

3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine (PubChem CID 25129122) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
PubChem CID25129122
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
SMILESCOc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc(OC)c2)cc1
InChIInChI=1S/C25H23NO3/c1-27-22-7-4-17(5-8-22)10-20-11-19-12-23(28-2)9-6-18(19)14-25(20)21-13-24(29-3)16-26-15-21/h4-9,11-16H,10H2,1-3H3
InChIKeyCLQYWOZOJFULEG-UHFFFAOYSA-N
XLogP5.52
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The IUPAC name of 3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine (CID 25129122) is 3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine.
What is the SMILES notation for 3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The canonical SMILES for 3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine is COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc(OC)c2)cc1.
What is the InChIKey of 3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The InChIKey is CLQYWOZOJFULEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-27-22-7-4-17(5-8-22)10-20-11-19-12-23(28-2)9-6-18(19)14-25(20)21-13-24(29-3)16-26-15-21/h4-9,11-16H,10H2,1-3H3.
What are the key properties of 3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine has a molecular weight of 385.46 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[6-methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 25129122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).