6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one

C20H24FN3O2 — CID 130344659

IUPAC6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1c1cc(N2CCCC2c2cccc(F)c2)[nH]c(=O)c1
InChIInChI=1S/C20H24FN3O2/c1-14-13-26-9-8-23(14)17-11-19(22-20(25)12-17)24-7-3-6-18(24)15-4-2-5-16(21)10-15/h2,4-5,10-12,14,18H,3,6-9,13H2,1H3,(H,22,25)/t14-,18?/m1/s1
InChIKeyZZOLVSJDRQQXEZ-IKJXHCRLSA-N
MW357.43 g/mol
LogP3.08
Rot. Bonds3

About 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one (PubChem CID 130344659) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
PubChem CID130344659
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1c1cc(N2CCCC2c2cccc(F)c2)[nH]c(=O)c1
InChIInChI=1S/C20H24FN3O2/c1-14-13-26-9-8-23(14)17-11-19(22-20(25)12-17)24-7-3-6-18(24)15-4-2-5-16(21)10-15/h2,4-5,10-12,14,18H,3,6-9,13H2,1H3,(H,22,25)/t14-,18?/m1/s1
InChIKeyZZOLVSJDRQQXEZ-IKJXHCRLSA-N
XLogP3.08
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one (CID 130344659) is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one is C[C@@H]1COCCN1c1cc(N2CCCC2c2cccc(F)c2)[nH]c(=O)c1.
What is the InChIKey of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
The InChIKey is ZZOLVSJDRQQXEZ-IKJXHCRLSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14-13-26-9-8-23(14)17-11-19(22-20(25)12-17)24-7-3-6-18(24)15-4-2-5-16(21)10-15/h2,4-5,10-12,14,18H,3,6-9,13H2,1H3,(H,22,25)/t14-,18?/m1/s1.
What are the key properties of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one?
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one has a molecular weight of 357.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 130344659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).