3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium

C19H21N2O2+ — CID 44579637

IUPAC3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium
SMILESCOc1ccc(/C=C2\CCCN=C2c2ccc[nH+]c2)c(OC)c1
InChIInChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/p+1/b15-11+
InChIKeyRPYWXZCFYPVCNQ-RVDMUPIBSA-O
MW309.39 g/mol
LogP3.18
Rot. Bonds4

About 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium

3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium (PubChem CID 44579637) has the molecular formula C19H21N2O2+ and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium.

Molecular Properties

Compound Name3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium
PubChem CID44579637
Molecular FormulaC19H21N2O2+
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium
SMILESCOc1ccc(/C=C2\CCCN=C2c2ccc[nH+]c2)c(OC)c1
InChIInChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/p+1/b15-11+
InChIKeyRPYWXZCFYPVCNQ-RVDMUPIBSA-O
XLogP3.18
TPSA44.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium with MolForge

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Related Compounds

5-[(2,4-dimethoxyphenyl)methylidene]-6-phenyl-3,4-dihydro-2H-pyridine;dihydrochloride
CID 70016520
3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;hydron;dichloride
CID 66618703
3-[(5E)-5-[(2-methoxy-4-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 24876940
3-[(5E)-5-[[2-methoxy-4-(3-methylphenoxy)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
CID 24877190
3,4,5-trihydroxy-6-[3-methoxy-4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenoxy]oxane-2-carboxylic acid
CID 76577482
3-[(5Z)-5-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67337325
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]oxane-2,6-dione
CID 82159960
3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;N-(4-ethylpiperidin-3-yl)furo[2,3-c]pyridine-5-carboxamide
CID 145068157
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one
CID 45029088
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
2,5-bis[(2,5-dimethoxyphenyl)methylidene]cyclopentan-1-one
CID 1069394
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648

Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium?
The IUPAC name of 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium (CID 44579637) is 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium.
What is the SMILES notation for 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium?
The canonical SMILES for 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium is COc1ccc(/C=C2\CCCN=C2c2ccc[nH+]c2)c(OC)c1.
What is the InChIKey of 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium?
The InChIKey is RPYWXZCFYPVCNQ-RVDMUPIBSA-O. The full InChI is InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/p+1/b15-11+.
What are the key properties of 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium?
3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium has a molecular weight of 309.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridin-1-ium is sourced from PubChem (CID 44579637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).