1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone

C18H20FN3O — CID 110257686

IUPAC1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cccc(NCc2ccccc2F)n1
InChIInChI=1S/C18H20FN3O/c1-13(23)22-11-5-9-17(22)16-8-4-10-18(21-16)20-12-14-6-2-3-7-15(14)19/h2-4,6-8,10,17H,5,9,11-12H2,1H3,(H,20,21)
InChIKeyYVPPVMFKJBLUIO-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.52
Rot. Bonds4

About 1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone

1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 110257686) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID110257686
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cccc(NCc2ccccc2F)n1
InChIInChI=1S/C18H20FN3O/c1-13(23)22-11-5-9-17(22)16-8-4-10-18(21-16)20-12-14-6-2-3-7-15(14)19/h2-4,6-8,10,17H,5,9,11-12H2,1H3,(H,20,21)
InChIKeyYVPPVMFKJBLUIO-UHFFFAOYSA-N
XLogP3.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Asp-5854
CID 24810000
2-Amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8H)-yl)ethanone
CID 49856296
L-375378
CID 154118
N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 45259040
N-{(3s,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 45259041
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
6-[2-(3-fluoro-5-{2-[(2R)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
CID 137530110
6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
CID 137530111
6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
CID 137530112
6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
CID 137530113

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 110257686) is 1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cccc(NCc2ccccc2F)n1.
What is the InChIKey of 1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is YVPPVMFKJBLUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-13(23)22-11-5-9-17(22)16-8-4-10-18(21-16)20-12-14-6-2-3-7-15(14)19/h2-4,6-8,10,17H,5,9,11-12H2,1H3,(H,20,21).
What are the key properties of 1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 313.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[(2-fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110257686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).