[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone

C19H21FN2O3 — CID 132764637

IUPAC[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
SMILESCOC1(COc2ccc(F)cc2)CCN(C(=O)c2ccc(C)cn2)C1
InChIInChI=1S/C19H21FN2O3/c1-14-3-8-17(21-11-14)18(23)22-10-9-19(12-22,24-2)13-25-16-6-4-15(20)5-7-16/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyIRIFKPXCMWWNCJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.84
Rot. Bonds5

About [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone

[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone (PubChem CID 132764637) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
PubChem CID132764637
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
SMILESCOC1(COc2ccc(F)cc2)CCN(C(=O)c2ccc(C)cn2)C1
InChIInChI=1S/C19H21FN2O3/c1-14-3-8-17(21-11-14)18(23)22-10-9-19(12-22,24-2)13-25-16-6-4-15(20)5-7-16/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyIRIFKPXCMWWNCJ-UHFFFAOYSA-N
XLogP2.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone (CID 132764637) is [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone is COC1(COc2ccc(F)cc2)CCN(C(=O)c2ccc(C)cn2)C1.
What is the InChIKey of [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone?
The InChIKey is IRIFKPXCMWWNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14-3-8-17(21-11-14)18(23)22-10-9-19(12-22,24-2)13-25-16-6-4-15(20)5-7-16/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone?
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone has a molecular weight of 344.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 132764637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).