3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine

C17H21NO3 — CID 3044482

IUPAC3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine
SMILESCOc1cc(Cc2nccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C17H21NO3/c1-11-6-7-18-14(12(11)2)8-13-9-15(19-3)17(21-5)16(10-13)20-4/h6-7,9-10H,8H2,1-5H3
InChIKeyDTWUIAUDELIFEE-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.32
Rot. Bonds5

About 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine

3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine (PubChem CID 3044482) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine.

Molecular Properties

Compound Name3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine
PubChem CID3044482
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine
SMILESCOc1cc(Cc2nccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C17H21NO3/c1-11-6-7-18-14(12(11)2)8-13-9-15(19-3)17(21-5)16(10-13)20-4/h6-7,9-10H,8H2,1-5H3
InChIKeyDTWUIAUDELIFEE-UHFFFAOYSA-N
XLogP3.32
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine?
The IUPAC name of 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine (CID 3044482) is 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine.
What is the SMILES notation for 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine?
The canonical SMILES for 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine is COc1cc(Cc2nccc(C)c2C)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine?
The InChIKey is DTWUIAUDELIFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-6-7-18-14(12(11)2)8-13-9-15(19-3)17(21-5)16(10-13)20-4/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine?
3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine has a molecular weight of 287.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine is sourced from PubChem (CID 3044482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).