3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

C20H14F3N5O3 — CID 165167078

IUPAC3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
SMILESNc1ccc(Oc2ccc(N3C(=O)CN(c4cncc(C(F)(F)F)c4)C3=O)cc2)cn1
InChIInChI=1S/C20H14F3N5O3/c21-20(22,23)12-7-14(9-25-8-12)27-11-18(29)28(19(27)30)13-1-3-15(4-2-13)31-16-5-6-17(24)26-10-16/h1-10H,11H2,(H2,24,26)
InChIKeyNLVLFVSEYVINRD-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.84
Rot. Bonds4

About 3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 165167078) has the molecular formula C20H14F3N5O3 and a molecular weight of 429.36 g/mol. Its IUPAC name is 3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID165167078
Molecular FormulaC20H14F3N5O3
Molecular Weight429.36 g/mol
Exact Mass429.10
IUPAC Name3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
SMILESNc1ccc(Oc2ccc(N3C(=O)CN(c4cncc(C(F)(F)F)c4)C3=O)cc2)cn1
InChIInChI=1S/C20H14F3N5O3/c21-20(22,23)12-7-14(9-25-8-12)27-11-18(29)28(19(27)30)13-1-3-15(4-2-13)31-16-5-6-17(24)26-10-16/h1-10H,11H2,(H2,24,26)
InChIKeyNLVLFVSEYVINRD-UHFFFAOYSA-N
XLogP3.84
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Pyridoimidazolone, 5e
CID 42626193
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
Pyridoimidazolone, 5k
CID 42626266
Pyridoimidazolone, 5n
CID 42626269
Pyridoimidazolone, 5s
CID 42626340
N-[4-(benzyloxy)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide
CID 3236785
1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 44131526
1-[4-[(2-amino-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 44131713
1-(4-(2,3-Dioxo-1,2,3,4-tetrahydropyrido[3,2-b]pyrazin-8-yloxy)-2-fluorophenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 44132849
1-[2-fluoro-4-[(2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 44133365
1-(2-Fluoro-5-(trifluoromethyl)phenyl)-3-(2-fluoro-4-(3-oxo-3,4-dihydro pyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea
CID 44133914
1-(2-Fluoro-4-(3-methyl-2-oxo-1,2-dihydropyrido[3,2-b]pyrazin-8-yloxy)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 46899948

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (CID 165167078) is 3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is Nc1ccc(Oc2ccc(N3C(=O)CN(c4cncc(C(F)(F)F)c4)C3=O)cc2)cn1.
What is the InChIKey of 3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is NLVLFVSEYVINRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O3/c21-20(22,23)12-7-14(9-25-8-12)27-11-18(29)28(19(27)30)13-1-3-15(4-2-13)31-16-5-6-17(24)26-10-16/h1-10H,11H2,(H2,24,26).
What are the key properties of 3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 429.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-amino-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165167078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).