5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine

C18H22N2O — CID 102539475

IUPAC5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine
SMILESCCN1CCCC1c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C18H22N2O/c1-2-20-12-6-9-17(20)16-10-11-18(19-13-16)21-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,2,6,9,12,14H2,1H3
InChIKeyNAWKIGLSDYEGQW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.82
Rot. Bonds5

About 5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine

5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine (PubChem CID 102539475) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine.

Molecular Properties

Compound Name5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine
PubChem CID102539475
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine
SMILESCCN1CCCC1c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C18H22N2O/c1-2-20-12-6-9-17(20)16-10-11-18(19-13-16)21-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,2,6,9,12,14H2,1H3
InChIKeyNAWKIGLSDYEGQW-UHFFFAOYSA-N
XLogP3.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine?
The IUPAC name of 5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine (CID 102539475) is 5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine.
What is the SMILES notation for 5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine?
The canonical SMILES for 5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine is CCN1CCCC1c1ccc(OCc2ccccc2)nc1.
What is the InChIKey of 5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine?
The InChIKey is NAWKIGLSDYEGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-20-12-6-9-17(20)16-10-11-18(19-13-16)21-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,2,6,9,12,14H2,1H3.
What are the key properties of 5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine?
5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine has a molecular weight of 282.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrrolidin-2-yl)-2-phenylmethoxypyridine is sourced from PubChem (CID 102539475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).