3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one

C16H16FN3O — CID 133353967

IUPAC3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCC(Nc3cccc(F)n3)C2=O)cc1
InChIInChI=1S/C16H16FN3O/c1-11-5-7-12(8-6-11)20-10-9-13(16(20)21)18-15-4-2-3-14(17)19-15/h2-8,13H,9-10H2,1H3,(H,18,19)
InChIKeyKWDAIPBVCCHBAJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.75
Rot. Bonds3

About 3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one

3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 133353967) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID133353967
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCC(Nc3cccc(F)n3)C2=O)cc1
InChIInChI=1S/C16H16FN3O/c1-11-5-7-12(8-6-11)20-10-9-13(16(20)21)18-15-4-2-3-14(17)19-15/h2-8,13H,9-10H2,1H3,(H,18,19)
InChIKeyKWDAIPBVCCHBAJ-UHFFFAOYSA-N
XLogP2.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-[(6-fluoro-2-pyridinyl)amino]pyrrolidin-2-one
CID 139544136
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 133353995
3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133484160
2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 126796000
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 104891772
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133304730
3-(4-fluoro-2-nitroanilino)-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353914
4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one
CID 133354000
3-[(4-amino-5-nitropyrimidin-2-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133354008
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133325575

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one (CID 133353967) is 3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CCC(Nc3cccc(F)n3)C2=O)cc1.
What is the InChIKey of 3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is KWDAIPBVCCHBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-11-5-7-12(8-6-11)20-10-9-13(16(20)21)18-15-4-2-3-14(17)19-15/h2-8,13H,9-10H2,1H3,(H,18,19).
What are the key properties of 3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one?
3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 133353967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).