4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C12H18N2O — CID 10081731

IUPAC4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCc1ccncc1OC[C@@H]1CCCN1C
InChIInChI=1S/C12H18N2O/c1-10-5-6-13-8-12(10)15-9-11-4-3-7-14(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
InChIKeyWYBSJZOMLJBUFE-NSHDSACASA-N
MW206.29 g/mol
LogP1.86
Rot. Bonds3

About 4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 10081731) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID10081731
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCc1ccncc1OC[C@@H]1CCCN1C
InChIInChI=1S/C12H18N2O/c1-10-5-6-13-8-12(10)15-9-11-4-3-7-14(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
InChIKeyWYBSJZOMLJBUFE-NSHDSACASA-N
XLogP1.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 10081731) is 4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is Cc1ccncc1OC[C@@H]1CCCN1C.
What is the InChIKey of 4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is WYBSJZOMLJBUFE-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-5-6-13-8-12(10)15-9-11-4-3-7-14(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 206.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 10081731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).