1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine

C24H26Cl2N2O — CID 67057934

IUPAC1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine
SMILESCC(OC1=CCN(Cc2ccccc2)C=C1Cl)C1CNCC1c1ccccc1Cl
InChIInChI=1S/C24H26Cl2N2O/c1-17(20-13-27-14-21(20)19-9-5-6-10-22(19)25)29-24-11-12-28(16-23(24)26)15-18-7-3-2-4-8-18/h2-11,16-17,20-21,27H,12-15H2,1H3
InChIKeyDTFNPHQSYUAELL-UHFFFAOYSA-N
MW429.39 g/mol
LogP5.53
Rot. Bonds6

About 1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine

1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine (PubChem CID 67057934) has the molecular formula C24H26Cl2N2O and a molecular weight of 429.39 g/mol. Its IUPAC name is 1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine
PubChem CID67057934
Molecular FormulaC24H26Cl2N2O
Molecular Weight429.39 g/mol
Exact Mass428.14
IUPAC Name1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine
SMILESCC(OC1=CCN(Cc2ccccc2)C=C1Cl)C1CNCC1c1ccccc1Cl
InChIInChI=1S/C24H26Cl2N2O/c1-17(20-13-27-14-21(20)19-9-5-6-10-22(19)25)29-24-11-12-28(16-23(24)26)15-18-7-3-2-4-8-18/h2-11,16-17,20-21,27H,12-15H2,1H3
InChIKeyDTFNPHQSYUAELL-UHFFFAOYSA-N
XLogP5.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.39
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]-5-chloro-2-methyl-1H-pyridine
CID 163493620
8-Tert-butyl-4-(2-chlorophenyl)-2,3,3a,4,5,8,9,9b-octahydrofuro[3,2-c]quinoline
CID 164018862
N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115801423
N-[(2-chlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115801566

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine?
The IUPAC name of 1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine (CID 67057934) is 1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine.
What is the SMILES notation for 1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine?
The canonical SMILES for 1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine is CC(OC1=CCN(Cc2ccccc2)C=C1Cl)C1CNCC1c1ccccc1Cl.
What is the InChIKey of 1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine?
The InChIKey is DTFNPHQSYUAELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O/c1-17(20-13-27-14-21(20)19-9-5-6-10-22(19)25)29-24-11-12-28(16-23(24)26)15-18-7-3-2-4-8-18/h2-11,16-17,20-21,27H,12-15H2,1H3.
What are the key properties of 1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine?
1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine has a molecular weight of 429.39 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-4-[1-[4-(2-chlorophenyl)pyrrolidin-3-yl]ethoxy]-2H-pyridine is sourced from PubChem (CID 67057934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).