1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one

C12H18FN3O — CID 139383765

IUPAC1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCN(CCF)C2)c1=O
InChIInChI=1S/C12H18FN3O/c1-14-11-3-2-6-16(12(11)17)10-4-7-15(9-10)8-5-13/h2-3,6,10,14H,4-5,7-9H2,1H3/t10-/m0/s1
InChIKeyZMPLQZMMVHLROZ-JTQLQIEISA-N
MW239.29 g/mol
LogP1.11
Rot. Bonds4

About 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one

1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one (PubChem CID 139383765) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one
PubChem CID139383765
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCN(CCF)C2)c1=O
InChIInChI=1S/C12H18FN3O/c1-14-11-3-2-6-16(12(11)17)10-4-7-15(9-10)8-5-13/h2-3,6,10,14H,4-5,7-9H2,1H3/t10-/m0/s1
InChIKeyZMPLQZMMVHLROZ-JTQLQIEISA-N
XLogP1.11
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
CID 45268243
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
2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
CID 45271636
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
CID 45272533
3-pyrrolidin-1-yl-1H-pyridin-2-one
CID 67801776
N-(6-oxo-1-propyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 54862504
N~2~-methyl-N~1~-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]-L-alaninamide
CID 91828411
2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyridine-3-carboxamide
CID 96999308
6-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 164635777
1-[(3S,4S)-4-aminopyrrolidin-3-yl]-5-fluoropyridin-2-one
CID 66693163
1-(4-Aminopyrrolidin-3-yl)-5-fluoropyridin-2-one
CID 66693164

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one (CID 139383765) is 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one is CNc1cccn([C@H]2CCN(CCF)C2)c1=O.
What is the InChIKey of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one?
The InChIKey is ZMPLQZMMVHLROZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18FN3O/c1-14-11-3-2-6-16(12(11)17)10-4-7-15(9-10)8-5-13/h2-3,6,10,14H,4-5,7-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one?
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one has a molecular weight of 239.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 139383765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).