3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine

C22H22N2O — CID 172635069

IUPAC3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine
SMILESCc1cccnc1O[C@H]1CCN(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H22N2O/c1-17-6-5-14-23-22(17)25-21-13-15-24(16-21)20-11-9-19(10-12-20)18-7-3-2-4-8-18/h2-12,14,21H,13,15-16H2,1H3/t21-/m0/s1
InChIKeyYNPGWZNTBYGEOL-NRFANRHFSA-N
MW330.43 g/mol
LogP4.71
Rot. Bonds4

About 3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine

3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine (PubChem CID 172635069) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine
PubChem CID172635069
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine
SMILESCc1cccnc1O[C@H]1CCN(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H22N2O/c1-17-6-5-14-23-22(17)25-21-13-15-24(16-21)20-11-9-19(10-12-20)18-7-3-2-4-8-18/h2-12,14,21H,13,15-16H2,1H3/t21-/m0/s1
InChIKeyYNPGWZNTBYGEOL-NRFANRHFSA-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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Related Compounds

2-[5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol
CID 166004483
[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 170313388
2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine
CID 143449306
[6-[2-(methyliminomethyl)phenyl]-3-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
CID 170384297
3,5-dichloro-2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxypyridine
CID 20701175
2-(methoxymethyl)-4-methyl-6-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrimidine
CID 125139356
2-[(3R)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylpyridine-3-carboxamide
CID 166004531
3-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrrolidin-2-one
CID 126801191
2-chloro-6-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-phenylbenzonitrile
CID 175576206
4-[4-[(3-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide
CID 122143623
[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 122153292
3-chloro-2-[(3S)-1-[4-(2-chlorophenyl)-2-isocyanophenyl]pyrrolidin-3-yl]oxypyridine
CID 166004349

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine (CID 172635069) is 3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine is Cc1cccnc1O[C@H]1CCN(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine?
The InChIKey is YNPGWZNTBYGEOL-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22N2O/c1-17-6-5-14-23-22(17)25-21-13-15-24(16-21)20-11-9-19(10-12-20)18-7-3-2-4-8-18/h2-12,14,21H,13,15-16H2,1H3/t21-/m0/s1.
What are the key properties of 3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine?
3-methyl-2-[(3S)-1-(4-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 3-methyl-2-[(3S)-1-(4-phenylphenyl)pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 172635069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).