3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine

C16H19N3O — CID 15480241

IUPAC3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine
SMILESCN1CCC[C@H]1COc1cncc(-c2cccnc2)c1
InChIInChI=1S/C16H19N3O/c1-19-7-3-5-15(19)12-20-16-8-14(10-18-11-16)13-4-2-6-17-9-13/h2,4,6,8-11,15H,3,5,7,12H2,1H3/t15-/m0/s1
InChIKeyDSWZTNPZXCARNH-HNNXBMFYSA-N
MW269.35 g/mol
LogP2.62
Rot. Bonds4

About 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine

3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine (PubChem CID 15480241) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine
PubChem CID15480241
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine
SMILESCN1CCC[C@H]1COc1cncc(-c2cccnc2)c1
InChIInChI=1S/C16H19N3O/c1-19-7-3-5-15(19)12-20-16-8-14(10-18-11-16)13-4-2-6-17-9-13/h2,4,6,8-11,15H,3,5,7,12H2,1H3/t15-/m0/s1
InChIKeyDSWZTNPZXCARNH-HNNXBMFYSA-N
XLogP2.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine?
The IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine (CID 15480241) is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine.
What is the SMILES notation for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine?
The canonical SMILES for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine is CN1CCC[C@H]1COc1cncc(-c2cccnc2)c1.
What is the InChIKey of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine?
The InChIKey is DSWZTNPZXCARNH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-7-3-5-15(19)12-20-16-8-14(10-18-11-16)13-4-2-6-17-9-13/h2,4,6,8-11,15H,3,5,7,12H2,1H3/t15-/m0/s1.
What are the key properties of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine?
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine has a molecular weight of 269.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-pyridin-3-ylpyridine is sourced from PubChem (CID 15480241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).