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

C18H19NO2 — CID 6539778

IUPAC3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine
SMILESCOc1cc2c(cc1OC)/C(=C/c1cccnc1)CCC2
InChIInChI=1S/C18H19NO2/c1-20-17-10-15-7-3-6-14(16(15)11-18(17)21-2)9-13-5-4-8-19-12-13/h4-5,8-12H,3,6-7H2,1-2H3/b14-9+
InChIKeyUCYAOLKQTARFPB-NTEUORMPSA-N
MW281.36 g/mol
LogP3.98
Rot. Bonds3

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

3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine (PubChem CID 6539778) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine
PubChem CID6539778
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine
SMILESCOc1cc2c(cc1OC)/C(=C/c1cccnc1)CCC2
InChIInChI=1S/C18H19NO2/c1-20-17-10-15-7-3-6-14(16(15)11-18(17)21-2)9-13-5-4-8-19-12-13/h4-5,8-12H,3,6-7H2,1-2H3/b14-9+
InChIKeyUCYAOLKQTARFPB-NTEUORMPSA-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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CID 4680
Papaverine Hydrochloride
CID 6084
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CID 19009
Moxaverine
CID 70882
Palmatine Chloride
CID 73442
PF-07038124
CID 148293990
Coralyne chloride
CID 23306
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
2,3,9,10-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride;hydrate
CID 16212317
6,7-Dimethoxy-1-methylisoquinoline
CID 20725

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
The IUPAC name of 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine (CID 6539778) is 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine.
What is the SMILES notation for 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
The canonical SMILES for 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine is COc1cc2c(cc1OC)/C(=C/c1cccnc1)CCC2.
What is the InChIKey of 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
The InChIKey is UCYAOLKQTARFPB-NTEUORMPSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-17-10-15-7-3-6-14(16(15)11-18(17)21-2)9-13-5-4-8-19-12-13/h4-5,8-12H,3,6-7H2,1-2H3/b14-9+.
What are the key properties of 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine?
3-[(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 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).