2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide

C20H16F3N5O3 — CID 156772983

IUPAC2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide
SMILESCC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CC(=O)Nc1ccccn1
InChIInChI=1S/C20H16F3N5O3/c1-19(2)17(30)28(13-7-6-12(10-24)14(9-13)20(21,22)23)18(31)27(19)11-16(29)26-15-5-3-4-8-25-15/h3-9H,11H2,1-2H3,(H,25,26,29)
InChIKeyPIKPARQIFAJALC-UHFFFAOYSA-N
MW431.37 g/mol
LogP3.16
Rot. Bonds4

About 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide

2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 156772983) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID156772983
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC Name2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide
SMILESCC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CC(=O)Nc1ccccn1
InChIInChI=1S/C20H16F3N5O3/c1-19(2)17(30)28(13-7-6-12(10-24)14(9-13)20(21,22)23)18(31)27(19)11-16(29)26-15-5-3-4-8-25-15/h3-9H,11H2,1-2H3,(H,25,26,29)
InChIKeyPIKPARQIFAJALC-UHFFFAOYSA-N
XLogP3.16
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.16
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 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide (CID 156772983) is 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide is CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CC(=O)Nc1ccccn1.
What is the InChIKey of 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is PIKPARQIFAJALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c1-19(2)17(30)28(13-7-6-12(10-24)14(9-13)20(21,22)23)18(31)27(19)11-16(29)26-15-5-3-4-8-25-15/h3-9H,11H2,1-2H3,(H,25,26,29).
What are the key properties of 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide?
2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 431.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 156772983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).