3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine

C15H17N3 — CID 59522846

IUPAC3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine
SMILESCN1CCC[C@H]1c1cnccc1-c1ccccn1
InChIInChI=1S/C15H17N3/c1-18-10-4-6-15(18)13-11-16-9-7-12(13)14-5-2-3-8-17-14/h2-3,5,7-9,11,15H,4,6,10H2,1H3/t15-/m0/s1
InChIKeyDFUPLOYTFIMIDR-HNNXBMFYSA-N
MW239.32 g/mol
LogP2.91
Rot. Bonds2

About 3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine

3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine (PubChem CID 59522846) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine
PubChem CID59522846
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine
SMILESCN1CCC[C@H]1c1cnccc1-c1ccccn1
InChIInChI=1S/C15H17N3/c1-18-10-4-6-15(18)13-11-16-9-7-12(13)14-5-2-3-8-17-14/h2-3,5,7-9,11,15H,4,6,10H2,1H3/t15-/m0/s1
InChIKeyDFUPLOYTFIMIDR-HNNXBMFYSA-N
XLogP2.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine?
The IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine (CID 59522846) is 3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine.
What is the SMILES notation for 3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine?
The canonical SMILES for 3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine is CN1CCC[C@H]1c1cnccc1-c1ccccn1.
What is the InChIKey of 3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine?
The InChIKey is DFUPLOYTFIMIDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N3/c1-18-10-4-6-15(18)13-11-16-9-7-12(13)14-5-2-3-8-17-14/h2-3,5,7-9,11,15H,4,6,10H2,1H3/t15-/m0/s1.
What are the key properties of 3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine?
3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine has a molecular weight of 239.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridin-2-ylpyridine is sourced from PubChem (CID 59522846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).