5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine

C22H22N2O — CID 167682110

IUPAC5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine
SMILESCc1ccc(O[C@H]2CCN(c3ccccc3-c3ccccc3)C2)nc1
InChIInChI=1S/C22H22N2O/c1-17-11-12-22(23-15-17)25-19-13-14-24(16-19)21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-12,15,19H,13-14,16H2,1H3/t19-/m0/s1
InChIKeyIPPUWXHWQDBJGX-IBGZPJMESA-N
MW330.43 g/mol
LogP4.71
Rot. Bonds4

About 5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine

5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine (PubChem CID 167682110) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine
PubChem CID167682110
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine
SMILESCc1ccc(O[C@H]2CCN(c3ccccc3-c3ccccc3)C2)nc1
InChIInChI=1S/C22H22N2O/c1-17-11-12-22(23-15-17)25-19-13-14-24(16-19)21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-12,15,19H,13-14,16H2,1H3/t19-/m0/s1
InChIKeyIPPUWXHWQDBJGX-IBGZPJMESA-N
XLogP4.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine (CID 167682110) is 5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine is Cc1ccc(O[C@H]2CCN(c3ccccc3-c3ccccc3)C2)nc1.
What is the InChIKey of 5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine?
The InChIKey is IPPUWXHWQDBJGX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N2O/c1-17-11-12-22(23-15-17)25-19-13-14-24(16-19)21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-12,15,19H,13-14,16H2,1H3/t19-/m0/s1.
What are the key properties of 5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine?
5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine has a molecular weight of 330.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 167682110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).