2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine

C31H32N2O3 — CID 67658992

IUPAC2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine
SMILESCCOc1cccc(-c2nc(-c3ccc(OC)cc3)ccc2-c2ccc(OC)cc2)c1N1CCCC1
InChIInChI=1S/C31H32N2O3/c1-4-36-29-9-7-8-27(31(29)33-20-5-6-21-33)30-26(22-10-14-24(34-2)15-11-22)18-19-28(32-30)23-12-16-25(35-3)17-13-23/h7-19H,4-6,20-21H2,1-3H3
InChIKeyDEKSCDHJFJLRKZ-UHFFFAOYSA-N
MW480.61 g/mol
LogP7.10
Rot. Bonds8

About 2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine

2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine (PubChem CID 67658992) has the molecular formula C31H32N2O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine
PubChem CID67658992
Molecular FormulaC31H32N2O3
Molecular Weight480.61 g/mol
Exact Mass480.24
IUPAC Name2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine
SMILESCCOc1cccc(-c2nc(-c3ccc(OC)cc3)ccc2-c2ccc(OC)cc2)c1N1CCCC1
InChIInChI=1S/C31H32N2O3/c1-4-36-29-9-7-8-27(31(29)33-20-5-6-21-33)30-26(22-10-14-24(34-2)15-11-22)18-19-28(32-30)23-12-16-25(35-3)17-13-23/h7-19H,4-6,20-21H2,1-3H3
InChIKeyDEKSCDHJFJLRKZ-UHFFFAOYSA-N
XLogP7.10
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine?
The IUPAC name of 2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine (CID 67658992) is 2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine.
What is the SMILES notation for 2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine?
The canonical SMILES for 2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine is CCOc1cccc(-c2nc(-c3ccc(OC)cc3)ccc2-c2ccc(OC)cc2)c1N1CCCC1.
What is the InChIKey of 2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine?
The InChIKey is DEKSCDHJFJLRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O3/c1-4-36-29-9-7-8-27(31(29)33-20-5-6-21-33)30-26(22-10-14-24(34-2)15-11-22)18-19-28(32-30)23-12-16-25(35-3)17-13-23/h7-19H,4-6,20-21H2,1-3H3.
What are the key properties of 2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine?
2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine has a molecular weight of 480.61 g/mol, XLogP of 7.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-pyrrolidin-1-ylphenyl)-3,6-bis(4-methoxyphenyl)pyridine is sourced from PubChem (CID 67658992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).