1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione

C17H16FN3O2 — CID 2927789

IUPAC1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione
SMILESCN(Cc1ccncc1)C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H16FN3O2/c1-20(11-12-6-8-19-9-7-12)15-10-16(22)21(17(15)23)14-4-2-13(18)3-5-14/h2-9,15H,10-11H2,1H3
InChIKeyUPYQDZGHOGZBNP-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.98
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione

1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione (PubChem CID 2927789) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione
PubChem CID2927789
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione
SMILESCN(Cc1ccncc1)C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H16FN3O2/c1-20(11-12-6-8-19-9-7-12)15-10-16(22)21(17(15)23)14-4-2-13(18)3-5-14/h2-9,15H,10-11H2,1H3
InChIKeyUPYQDZGHOGZBNP-UHFFFAOYSA-N
XLogP1.98
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
CID 1098209
1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 24614711
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23859152
(3S)-1-(2,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 41390458
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 23943166
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23860826
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
CID 23802165
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 23802029
3-[(4-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylpyrrolidine-2,5-dione
CID 42945423
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 23944483
(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 1022325
1-[(4-chlorophenyl)methyl]-3-ethyl-1-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiourea
CID 51389189

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione (CID 2927789) is 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione is CN(Cc1ccncc1)C1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione?
The InChIKey is UPYQDZGHOGZBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-20(11-12-6-8-19-9-7-12)15-10-16(22)21(17(15)23)14-4-2-13(18)3-5-14/h2-9,15H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione has a molecular weight of 313.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 2927789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).