3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine

C18H23N3O — CID 10469925

IUPAC3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine
SMILESCN1CCC[C@H]1COc1cncc(CCc2ccncc2)c1
InChIInChI=1S/C18H23N3O/c1-21-10-2-3-17(21)14-22-18-11-16(12-20-13-18)5-4-15-6-8-19-9-7-15/h6-9,11-13,17H,2-5,10,14H2,1H3/t17-/m0/s1
InChIKeyGJAZCCXAIHABGD-KRWDZBQOSA-N
MW297.40 g/mol
LogP2.73
Rot. Bonds6

About 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine

3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine (PubChem CID 10469925) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine.

Molecular Properties

Compound Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine
PubChem CID10469925
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine
SMILESCN1CCC[C@H]1COc1cncc(CCc2ccncc2)c1
InChIInChI=1S/C18H23N3O/c1-21-10-2-3-17(21)14-22-18-11-16(12-20-13-18)5-4-15-6-8-19-9-7-15/h6-9,11-13,17H,2-5,10,14H2,1H3/t17-/m0/s1
InChIKeyGJAZCCXAIHABGD-KRWDZBQOSA-N
XLogP2.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.73
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-(2-pyridin-4-ylethyl)pyridine?
The IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine (CID 10469925) is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine.
What is the SMILES notation for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine?
The canonical SMILES for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine is CN1CCC[C@H]1COc1cncc(CCc2ccncc2)c1.
What is the InChIKey of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine?
The InChIKey is GJAZCCXAIHABGD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21-10-2-3-17(21)14-22-18-11-16(12-20-13-18)5-4-15-6-8-19-9-7-15/h6-9,11-13,17H,2-5,10,14H2,1H3/t17-/m0/s1.
What are the key properties of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine?
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-pyridin-4-ylethyl)pyridine has a molecular weight of 297.40 g/mol, XLogP of 2.73, 6 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-(2-pyridin-4-ylethyl)pyridine is sourced from PubChem (CID 10469925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).