5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione

C22H24FN5O3 — CID 134494613

IUPAC5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione
SMILESCc1cnc(NC2CCN(C(=O)c3ccc(C4(CF)NC(=O)NC4=O)cc3)C2)c(C)c1
InChIInChI=1S/C22H24FN5O3/c1-13-9-14(2)18(24-10-13)25-17-7-8-28(11-17)19(29)15-3-5-16(6-4-15)22(12-23)20(30)26-21(31)27-22/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,24,25)(H2,26,27,30,31)
InChIKeyIITUAMLSRQTAFG-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.03
Rot. Bonds5

About 5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione

5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione (PubChem CID 134494613) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione
PubChem CID134494613
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione
SMILESCc1cnc(NC2CCN(C(=O)c3ccc(C4(CF)NC(=O)NC4=O)cc3)C2)c(C)c1
InChIInChI=1S/C22H24FN5O3/c1-13-9-14(2)18(24-10-13)25-17-7-8-28(11-17)19(29)15-3-5-16(6-4-15)22(12-23)20(30)26-21(31)27-22/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,24,25)(H2,26,27,30,31)
InChIKeyIITUAMLSRQTAFG-UHFFFAOYSA-N
XLogP2.03
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494383
(5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 134495091
5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495102
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione
CID 134494545
5-methyl-5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494989
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
CID 134494331
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
CID 134494339
(2S,3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]-1-[4-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]benzoyl]pyrrolidine-2-carboxylic acid
CID 134495042
(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495156
(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494582
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione
CID 134494483
5-(methoxymethyl)-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494521

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione (CID 134494613) is 5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione is Cc1cnc(NC2CCN(C(=O)c3ccc(C4(CF)NC(=O)NC4=O)cc3)C2)c(C)c1.
What is the InChIKey of 5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione?
The InChIKey is IITUAMLSRQTAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-13-9-14(2)18(24-10-13)25-17-7-8-28(11-17)19(29)15-3-5-16(6-4-15)22(12-23)20(30)26-21(31)27-22/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,24,25)(H2,26,27,30,31).
What are the key properties of 5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione?
5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione has a molecular weight of 425.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 134494613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).