5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine

C20H26N2 — CID 166683418

IUPAC5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine
SMILESCCc1ccc(CC2CCN(c3ccccc3CC)C2)nc1
InChIInChI=1S/C20H26N2/c1-3-16-9-10-19(21-14-16)13-17-11-12-22(15-17)20-8-6-5-7-18(20)4-2/h5-10,14,17H,3-4,11-13,15H2,1-2H3
InChIKeyICXGXJXZYNAPIJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.28
Rot. Bonds5

About 5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine

5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine (PubChem CID 166683418) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine
PubChem CID166683418
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine
SMILESCCc1ccc(CC2CCN(c3ccccc3CC)C2)nc1
InChIInChI=1S/C20H26N2/c1-3-16-9-10-19(21-14-16)13-17-11-12-22(15-17)20-8-6-5-7-18(20)4-2/h5-10,14,17H,3-4,11-13,15H2,1-2H3
InChIKeyICXGXJXZYNAPIJ-UHFFFAOYSA-N
XLogP4.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine (CID 166683418) is 5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine is CCc1ccc(CC2CCN(c3ccccc3CC)C2)nc1.
What is the InChIKey of 5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine?
The InChIKey is ICXGXJXZYNAPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-3-16-9-10-19(21-14-16)13-17-11-12-22(15-17)20-8-6-5-7-18(20)4-2/h5-10,14,17H,3-4,11-13,15H2,1-2H3.
What are the key properties of 5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine?
5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 294.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 166683418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).