3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one

C21H26N2O2 — CID 167585567

IUPAC3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one
SMILESCc1ccc(O[C@@H]2CCN(c3ccccc3C(=O)CC(C)C)C2)nc1
InChIInChI=1S/C21H26N2O2/c1-15(2)12-20(24)18-6-4-5-7-19(18)23-11-10-17(14-23)25-21-9-8-16(3)13-22-21/h4-9,13,15,17H,10-12,14H2,1-3H3/t17-/m1/s1
InChIKeyOJJOQNSAQRKDHV-QGZVFWFLSA-N
MW338.45 g/mol
LogP4.28
Rot. Bonds6

About 3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one

3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one (PubChem CID 167585567) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one
PubChem CID167585567
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one
SMILESCc1ccc(O[C@@H]2CCN(c3ccccc3C(=O)CC(C)C)C2)nc1
InChIInChI=1S/C21H26N2O2/c1-15(2)12-20(24)18-6-4-5-7-19(18)23-11-10-17(14-23)25-21-9-8-16(3)13-22-21/h4-9,13,15,17H,10-12,14H2,1-3H3/t17-/m1/s1
InChIKeyOJJOQNSAQRKDHV-QGZVFWFLSA-N
XLogP4.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;methyl 2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzoate;propane
CID 167630838
5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine
CID 167682110
5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
CID 167560910
[6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
CID 156815636
2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol
CID 156815292
[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol
CID 167556214
[3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol
CID 156814534
[3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol
CID 156814945
[6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
CID 156814722
3-chloro-1-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 110208360
5-(2-chlorophenyl)-2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenol
CID 167557528
[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417270

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one?
The IUPAC name of 3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one (CID 167585567) is 3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one?
The canonical SMILES for 3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one is Cc1ccc(O[C@@H]2CCN(c3ccccc3C(=O)CC(C)C)C2)nc1.
What is the InChIKey of 3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one?
The InChIKey is OJJOQNSAQRKDHV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)12-20(24)18-6-4-5-7-19(18)23-11-10-17(14-23)25-21-9-8-16(3)13-22-21/h4-9,13,15,17H,10-12,14H2,1-3H3/t17-/m1/s1.
What are the key properties of 3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one?
3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one has a molecular weight of 338.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one is sourced from PubChem (CID 167585567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).