2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine

C23H30N2O — CID 68928271

IUPAC2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine
SMILESCOc1ccc(-c2ccc3c(c2)CCC(N2CCCC2C(C)C)C3)cn1
InChIInChI=1S/C23H30N2O/c1-16(2)22-5-4-12-25(22)21-10-8-17-13-18(6-7-19(17)14-21)20-9-11-23(26-3)24-15-20/h6-7,9,11,13,15-16,21-22H,4-5,8,10,12,14H2,1-3H3
InChIKeyRJAMOJGGEVWOMI-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.73
Rot. Bonds4

About 2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine

2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine (PubChem CID 68928271) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine
PubChem CID68928271
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine
SMILESCOc1ccc(-c2ccc3c(c2)CCC(N2CCCC2C(C)C)C3)cn1
InChIInChI=1S/C23H30N2O/c1-16(2)22-5-4-12-25(22)21-10-8-17-13-18(6-7-19(17)14-21)20-9-11-23(26-3)24-15-20/h6-7,9,11,13,15-16,21-22H,4-5,8,10,12,14H2,1-3H3
InChIKeyRJAMOJGGEVWOMI-UHFFFAOYSA-N
XLogP4.73
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine?
The IUPAC name of 2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine (CID 68928271) is 2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine is COc1ccc(-c2ccc3c(c2)CCC(N2CCCC2C(C)C)C3)cn1.
What is the InChIKey of 2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine?
The InChIKey is RJAMOJGGEVWOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-16(2)22-5-4-12-25(22)21-10-8-17-13-18(6-7-19(17)14-21)20-9-11-23(26-3)24-15-20/h6-7,9,11,13,15-16,21-22H,4-5,8,10,12,14H2,1-3H3.
What are the key properties of 2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine?
2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine has a molecular weight of 350.51 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine is sourced from PubChem (CID 68928271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).