5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine

C28H34N2O2 — CID 110093280

IUPAC5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine
SMILESCOc1cccc(Cc2ccc(C3CCCN3Cc3c(C)cc(OC)c(C)c3C)nc2)c1
InChIInChI=1S/C28H34N2O2/c1-19-14-28(32-5)21(3)20(2)25(19)18-30-13-7-10-27(30)26-12-11-23(17-29-26)15-22-8-6-9-24(16-22)31-4/h6,8-9,11-12,14,16-17,27H,7,10,13,15,18H2,1-5H3
InChIKeyPUFFEZUMDPVJBC-UHFFFAOYSA-N
MW430.59 g/mol
LogP5.95
Rot. Bonds7

About 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine

5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine (PubChem CID 110093280) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine
PubChem CID110093280
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine
SMILESCOc1cccc(Cc2ccc(C3CCCN3Cc3c(C)cc(OC)c(C)c3C)nc2)c1
InChIInChI=1S/C28H34N2O2/c1-19-14-28(32-5)21(3)20(2)25(19)18-30-13-7-10-27(30)26-12-11-23(17-29-26)15-22-8-6-9-24(16-22)31-4/h6,8-9,11-12,14,16-17,27H,7,10,13,15,18H2,1-5H3
InChIKeyPUFFEZUMDPVJBC-UHFFFAOYSA-N
XLogP5.95
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-5-[(3-methoxyphenyl)methyl]pyridine
CID 92616452
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615594
(1,3-dimethylpyrazol-4-yl)-[3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264048
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
2-[(2S)-2-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 92616720
4-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95611782
2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine
CID 92615687
2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine
CID 92615686
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 94343768

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine (CID 110093280) is 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine is COc1cccc(Cc2ccc(C3CCCN3Cc3c(C)cc(OC)c(C)c3C)nc2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is PUFFEZUMDPVJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-19-14-28(32-5)21(3)20(2)25(19)18-30-13-7-10-27(30)26-12-11-23(17-29-26)15-22-8-6-9-24(16-22)31-4/h6,8-9,11-12,14,16-17,27H,7,10,13,15,18H2,1-5H3.
What are the key properties of 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine?
5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 430.59 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 110093280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).