4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one

C10H12FN3O — CID 106189605

IUPAC4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cncc(F)c2)CN1
InChIInChI=1S/C10H12FN3O/c11-8-1-7(3-12-5-8)4-13-9-2-10(15)14-6-9/h1,3,5,9,13H,2,4,6H2,(H,14,15)
InChIKeyBYXWRWQTARXWDG-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.20
Rot. Bonds3

About 4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one

4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one (PubChem CID 106189605) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one
PubChem CID106189605
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cncc(F)c2)CN1
InChIInChI=1S/C10H12FN3O/c11-8-1-7(3-12-5-8)4-13-9-2-10(15)14-6-9/h1,3,5,9,13H,2,4,6H2,(H,14,15)
InChIKeyBYXWRWQTARXWDG-UHFFFAOYSA-N
XLogP0.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258
4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
CID 106184275
trans-(1R,2R)-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 131008593
4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one
CID 106181631
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104953424
5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one
CID 115282854
4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one
CID 106182416
4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106183796
4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
CID 130681741
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one
CID 106182577
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 104665443

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one (CID 106189605) is 4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2cncc(F)c2)CN1.
What is the InChIKey of 4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one?
The InChIKey is BYXWRWQTARXWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-8-1-7(3-12-5-8)4-13-9-2-10(15)14-6-9/h1,3,5,9,13H,2,4,6H2,(H,14,15).
What are the key properties of 4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one?
4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106189605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).