3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one

C11H16FN3O — CID 137450782

IUPAC3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one
SMILESNc1cccn([C@@H]2CCN(CCF)C2)c1=O
InChIInChI=1S/C11H16FN3O/c12-4-7-14-6-3-9(8-14)15-5-1-2-10(13)11(15)16/h1-2,5,9H,3-4,6-8,13H2/t9-/m1/s1
InChIKeyKNYUPSAQOITSOC-SECBINFHSA-N
MW225.27 g/mol
LogP0.65
Rot. Bonds3

About 3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one

3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one (PubChem CID 137450782) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one
PubChem CID137450782
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one
SMILESNc1cccn([C@@H]2CCN(CCF)C2)c1=O
InChIInChI=1S/C11H16FN3O/c12-4-7-14-6-3-9(8-14)15-5-1-2-10(13)11(15)16/h1-2,5,9H,3-4,6-8,13H2/t9-/m1/s1
InChIKeyKNYUPSAQOITSOC-SECBINFHSA-N
XLogP0.65
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-1-cyclobutyl-1,2-dihydropyridin-2-one
CID 105432457
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one
CID 45269129
N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pyridinyl]acetamide
CID 45269134
3-pyrrolidin-1-yl-1H-pyridin-2-one
CID 67801776
1-[(3S,4S)-4-aminopyrrolidin-3-yl]-5-fluoropyridin-2-one
CID 66693163
1-(4-Aminopyrrolidin-3-yl)-5-fluoropyridin-2-one
CID 66693164
1-[(3R,4R)-4-aminopyrrolidin-3-yl]-5-fluoropyridin-2-one
CID 66693165
3-Amino-1-(2-fluoroethyl)-1,2-dihydropyridin-2-one
CID 80693892
3-Amino-1-cyclopropyl-5-fluoropyridin-2-one
CID 118139915
3-Amino-5-fluoro-1-propylpyridin-2-one
CID 122630844
1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449082
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449101

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one (CID 137450782) is 3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one is Nc1cccn([C@@H]2CCN(CCF)C2)c1=O.
What is the InChIKey of 3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one?
The InChIKey is KNYUPSAQOITSOC-SECBINFHSA-N. The full InChI is InChI=1S/C11H16FN3O/c12-4-7-14-6-3-9(8-14)15-5-1-2-10(13)11(15)16/h1-2,5,9H,3-4,6-8,13H2/t9-/m1/s1.
What are the key properties of 3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one?
3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one has a molecular weight of 225.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one is sourced from PubChem (CID 137450782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).