5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine

C24H34N4O2 — CID 134405136

IUPAC5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine
SMILESCCc1cnc(OC)cc1N1CCC(Oc2ccc(N3CCC(C)C3)cn2)C(C)C1
InChIInChI=1S/C24H34N4O2/c1-5-19-13-25-24(29-4)12-21(19)28-11-9-22(18(3)16-28)30-23-7-6-20(14-26-23)27-10-8-17(2)15-27/h6-7,12-14,17-18,22H,5,8-11,15-16H2,1-4H3
InChIKeyXTHJFSKEPDOCJX-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.19
Rot. Bonds6

About 5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine

5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine (PubChem CID 134405136) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine
PubChem CID134405136
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine
SMILESCCc1cnc(OC)cc1N1CCC(Oc2ccc(N3CCC(C)C3)cn2)C(C)C1
InChIInChI=1S/C24H34N4O2/c1-5-19-13-25-24(29-4)12-21(19)28-11-9-22(18(3)16-28)30-23-7-6-20(14-26-23)27-10-8-17(2)15-27/h6-7,12-14,17-18,22H,5,8-11,15-16H2,1-4H3
InChIKeyXTHJFSKEPDOCJX-UHFFFAOYSA-N
XLogP4.19
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
The IUPAC name of 5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine (CID 134405136) is 5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine.
What is the SMILES notation for 5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
The canonical SMILES for 5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine is CCc1cnc(OC)cc1N1CCC(Oc2ccc(N3CCC(C)C3)cn2)C(C)C1.
What is the InChIKey of 5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
The InChIKey is XTHJFSKEPDOCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-5-19-13-25-24(29-4)12-21(19)28-11-9-22(18(3)16-28)30-23-7-6-20(14-26-23)27-10-8-17(2)15-27/h6-7,12-14,17-18,22H,5,8-11,15-16H2,1-4H3.
What are the key properties of 5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine?
5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine has a molecular weight of 410.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-4-[3-methyl-4-[[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine is sourced from PubChem (CID 134405136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).