3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione

C25H30N4O3 — CID 134494693

IUPAC3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione
SMILESCCC1(c2ccc(C(=O)N3CCN(c4nc(C)c(C)cc4C)CC3)cc2)C(=O)CNC1=O
InChIInChI=1S/C25H30N4O3/c1-5-25(21(30)15-26-24(25)32)20-8-6-19(7-9-20)23(31)29-12-10-28(11-13-29)22-17(3)14-16(2)18(4)27-22/h6-9,14H,5,10-13,15H2,1-4H3,(H,26,32)
InChIKeyMJKZSXCTBABAFR-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.32
Rot. Bonds4

About 3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione

3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione (PubChem CID 134494693) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione
PubChem CID134494693
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione
SMILESCCC1(c2ccc(C(=O)N3CCN(c4nc(C)c(C)cc4C)CC3)cc2)C(=O)CNC1=O
InChIInChI=1S/C25H30N4O3/c1-5-25(21(30)15-26-24(25)32)20-8-6-19(7-9-20)23(31)29-12-10-28(11-13-29)22-17(3)14-16(2)18(4)27-22/h6-9,14H,5,10-13,15H2,1-4H3,(H,26,32)
InChIKeyMJKZSXCTBABAFR-UHFFFAOYSA-N
XLogP2.32
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495156
5-(methoxymethyl)-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494521
5-methyl-5-[3-methyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494886
1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one
CID 150604099
(5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 58484501
4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 67381355
[4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone;hydrochloride
CID 71252830
(5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 134494842
3-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 58484509
(4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484748
(3S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione;(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
CID 158249149
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141265346

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione?
The IUPAC name of 3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione (CID 134494693) is 3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione?
The canonical SMILES for 3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione is CCC1(c2ccc(C(=O)N3CCN(c4nc(C)c(C)cc4C)CC3)cc2)C(=O)CNC1=O.
What is the InChIKey of 3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione?
The InChIKey is MJKZSXCTBABAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-5-25(21(30)15-26-24(25)32)20-8-6-19(7-9-20)23(31)29-12-10-28(11-13-29)22-17(3)14-16(2)18(4)27-22/h6-9,14H,5,10-13,15H2,1-4H3,(H,26,32).
What are the key properties of 3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione?
3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione has a molecular weight of 434.54 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 134494693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).