3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile

C21H20N4O3 — CID 53241113

IUPAC3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(C#N)cc3C3CC3)nc2)C1=O
InChIInChI=1S/C21H20N4O3/c1-3-21(2)19(26)25(20(27)24-21)15-7-9-18(23-12-15)28-17-8-4-13(11-22)10-16(17)14-5-6-14/h4,7-10,12,14H,3,5-6H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyCHRRBXGDIYARAF-OAQYLSRUSA-N
MW376.42 g/mol
LogP3.85
Rot. Bonds5

About 3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile

3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile (PubChem CID 53241113) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile
PubChem CID53241113
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(C#N)cc3C3CC3)nc2)C1=O
InChIInChI=1S/C21H20N4O3/c1-3-21(2)19(26)25(20(27)24-21)15-7-9-18(23-12-15)28-17-8-4-13(11-22)10-16(17)14-5-6-14/h4,7-10,12,14H,3,5-6H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyCHRRBXGDIYARAF-OAQYLSRUSA-N
XLogP3.85
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile (CID 53241113) is 3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile is CC[C@@]1(C)NC(=O)N(c2ccc(Oc3ccc(C#N)cc3C3CC3)nc2)C1=O.
What is the InChIKey of 3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile?
The InChIKey is CHRRBXGDIYARAF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-21(2)19(26)25(20(27)24-21)15-7-9-18(23-12-15)28-17-8-4-13(11-22)10-16(17)14-5-6-14/h4,7-10,12,14H,3,5-6H2,1-2H3,(H,24,27)/t21-/m1/s1.
What are the key properties of 3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile?
3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile has a molecular weight of 376.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 53241113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).