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

C14H22FN3O — CID 137449101

IUPAC1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn([C@H]2CCN(CCF)C2)c1=O
InChIInChI=1S/C14H22FN3O/c1-11(2)16-13-4-3-7-18(14(13)19)12-5-8-17(10-12)9-6-15/h3-4,7,11-12,16H,5-6,8-10H2,1-2H3/t12-/m0/s1
InChIKeyNPYRASQXCKCZTC-LBPRGKRZSA-N
MW267.35 g/mol
LogP1.88
Rot. Bonds5

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

1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137449101) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137449101
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn([C@H]2CCN(CCF)C2)c1=O
InChIInChI=1S/C14H22FN3O/c1-11(2)16-13-4-3-7-18(14(13)19)12-5-8-17(10-12)9-6-15/h3-4,7,11-12,16H,5-6,8-10H2,1-2H3/t12-/m0/s1
InChIKeyNPYRASQXCKCZTC-LBPRGKRZSA-N
XLogP1.88
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.88
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-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one (CID 137449101) is 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn([C@H]2CCN(CCF)C2)c1=O.
What is the InChIKey of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is NPYRASQXCKCZTC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-11(2)16-13-4-3-7-18(14(13)19)12-5-8-17(10-12)9-6-15/h3-4,7,11-12,16H,5-6,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one?
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 267.35 g/mol, XLogP of 1.88, 5 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-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137449101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).