3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine

C16H26N2O — CID 67615056

IUPAC3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine
SMILESCCCCCc1cncc(OC[C@H]2CCCN2C)c1
InChIInChI=1S/C16H26N2O/c1-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18(15)2/h10-12,15H,3-9,13H2,1-2H3/t15-/m1/s1
InChIKeyZMXFTVDYYQGPCZ-OAHLLOKOSA-N
MW262.40 g/mol
LogP3.29
Rot. Bonds7

About 3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine

3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine (PubChem CID 67615056) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine.

Molecular Properties

Compound Name3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine
PubChem CID67615056
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine
SMILESCCCCCc1cncc(OC[C@H]2CCCN2C)c1
InChIInChI=1S/C16H26N2O/c1-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18(15)2/h10-12,15H,3-9,13H2,1-2H3/t15-/m1/s1
InChIKeyZMXFTVDYYQGPCZ-OAHLLOKOSA-N
XLogP3.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine?
The IUPAC name of 3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine (CID 67615056) is 3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine.
What is the SMILES notation for 3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine?
The canonical SMILES for 3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine is CCCCCc1cncc(OC[C@H]2CCCN2C)c1.
What is the InChIKey of 3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine?
The InChIKey is ZMXFTVDYYQGPCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-5-7-14-10-16(12-17-11-14)19-13-15-8-6-9-18(15)2/h10-12,15H,3-9,13H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine?
3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine has a molecular weight of 262.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine is sourced from PubChem (CID 67615056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).