2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine

C25H34N2O — CID 175820841

IUPAC2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine
SMILESCc1ccc(C(C)(C)N2CC[C@@](CCc3ccccc3)(C3CCCO3)C2)cn1
InChIInChI=1S/C25H34N2O/c1-20-11-12-22(18-26-20)24(2,3)27-16-15-25(19-27,23-10-7-17-28-23)14-13-21-8-5-4-6-9-21/h4-6,8-9,11-12,18,23H,7,10,13-17,19H2,1-3H3/t23?,25-/m1/s1
InChIKeyPIGPBBAOHCWQCU-XSWBTSGESA-N
MW378.56 g/mol
LogP5.13
Rot. Bonds6

About 2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine

2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine (PubChem CID 175820841) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine
PubChem CID175820841
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine
SMILESCc1ccc(C(C)(C)N2CC[C@@](CCc3ccccc3)(C3CCCO3)C2)cn1
InChIInChI=1S/C25H34N2O/c1-20-11-12-22(18-26-20)24(2,3)27-16-15-25(19-27,23-10-7-17-28-23)14-13-21-8-5-4-6-9-21/h4-6,8-9,11-12,18,23H,7,10,13-17,19H2,1-3H3/t23?,25-/m1/s1
InChIKeyPIGPBBAOHCWQCU-XSWBTSGESA-N
XLogP5.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine?
The IUPAC name of 2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine (CID 175820841) is 2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine.
What is the SMILES notation for 2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine?
The canonical SMILES for 2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine is Cc1ccc(C(C)(C)N2CC[C@@](CCc3ccccc3)(C3CCCO3)C2)cn1.
What is the InChIKey of 2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine?
The InChIKey is PIGPBBAOHCWQCU-XSWBTSGESA-N. The full InChI is InChI=1S/C25H34N2O/c1-20-11-12-22(18-26-20)24(2,3)27-16-15-25(19-27,23-10-7-17-28-23)14-13-21-8-5-4-6-9-21/h4-6,8-9,11-12,18,23H,7,10,13-17,19H2,1-3H3/t23?,25-/m1/s1.
What are the key properties of 2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine?
2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine has a molecular weight of 378.56 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine is sourced from PubChem (CID 175820841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).