1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one

C20H24FN3O — CID 137471006

IUPAC1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(N)C1Cc1cccc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H24FN3O/c1-13(2)20(25)24-10-9-17(22)19(24)12-16-7-4-8-18(23-16)14-5-3-6-15(21)11-14/h3-8,11,13,17,19H,9-10,12,22H2,1-2H3
InChIKeyMGBLXPVYGSJFMG-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.01
Rot. Bonds4

About 1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one

1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 137471006) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID137471006
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(N)C1Cc1cccc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H24FN3O/c1-13(2)20(25)24-10-9-17(22)19(24)12-16-7-4-8-18(23-16)14-5-3-6-15(21)11-14/h3-8,11,13,17,19H,9-10,12,22H2,1-2H3
InChIKeyMGBLXPVYGSJFMG-UHFFFAOYSA-N
XLogP3.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 137471009
ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137470952
3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid
CID 154960189
[(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 156533967
N-[(2S,3S)-2-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461267
[3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471212
N-[(2R,3R)-2-[[3-(3,5-difluorophenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461386
6-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]-3-methyl-7-(methylsulfonylmethylamino)-6,7,8,9-tetrahydroquinolizin-4-one
CID 160611786
N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461339
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 154960242

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one (CID 137471006) is 1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(N)C1Cc1cccc(-c2cccc(F)c2)n1.
What is the InChIKey of 1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is MGBLXPVYGSJFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-13(2)20(25)24-10-9-17(22)19(24)12-16-7-4-8-18(23-16)14-5-3-6-15(21)11-14/h3-8,11,13,17,19H,9-10,12,22H2,1-2H3.
What are the key properties of 1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 341.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 137471006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).