4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine

C18H19NO2 — CID 6539802

IUPAC4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine
SMILESCOc1cc2c(cc1OC)/C(=C/c1ccncc1)CCC2
InChIInChI=1S/C18H19NO2/c1-20-17-11-15-5-3-4-14(16(15)12-18(17)21-2)10-13-6-8-19-9-7-13/h6-12H,3-5H2,1-2H3/b14-10+
InChIKeyALKBRINRCIWZDA-GXDHUFHOSA-N
MW281.36 g/mol
LogP3.98
Rot. Bonds3

About 4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine

4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine (PubChem CID 6539802) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine
PubChem CID6539802
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine
SMILESCOc1cc2c(cc1OC)/C(=C/c1ccncc1)CCC2
InChIInChI=1S/C18H19NO2/c1-20-17-11-15-5-3-4-14(16(15)12-18(17)21-2)10-13-6-8-19-9-7-13/h6-12H,3-5H2,1-2H3/b14-10+
InChIKeyALKBRINRCIWZDA-GXDHUFHOSA-N
XLogP3.98
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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PF-07038124
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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
The IUPAC name of 4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine (CID 6539802) is 4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine.
What is the SMILES notation for 4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
The canonical SMILES for 4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine is COc1cc2c(cc1OC)/C(=C/c1ccncc1)CCC2.
What is the InChIKey of 4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
The InChIKey is ALKBRINRCIWZDA-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-17-11-15-5-3-4-14(16(15)12-18(17)21-2)10-13-6-8-19-9-7-13/h6-12H,3-5H2,1-2H3/b14-10+.
What are the key properties of 4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine has a molecular weight of 281.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).