N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide

C17H10F6N4O4 — CID 3422640

IUPACN-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1cccnc1
InChIInChI=1S/C17H10F6N4O4/c18-16(19,20)15(25-12(28)9-2-1-7-24-8-9)13(29)27(14(30)26-15)10-3-5-11(6-4-10)31-17(21,22)23/h1-8H,(H,25,28)(H,26,30)
InChIKeyHTJCLEVCLFPZGN-UHFFFAOYSA-N
MW448.28 g/mol
LogP2.72
Rot. Bonds4

About N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide

N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide (PubChem CID 3422640) has the molecular formula C17H10F6N4O4 and a molecular weight of 448.28 g/mol. Its IUPAC name is N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
PubChem CID3422640
Molecular FormulaC17H10F6N4O4
Molecular Weight448.28 g/mol
Exact Mass448.06
IUPAC NameN-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1cccnc1
InChIInChI=1S/C17H10F6N4O4/c18-16(19,20)15(25-12(28)9-2-1-7-24-8-9)13(29)27(14(30)26-15)10-3-5-11(6-4-10)31-17(21,22)23/h1-8H,(H,25,28)(H,26,30)
InChIKeyHTJCLEVCLFPZGN-UHFFFAOYSA-N
XLogP2.72
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
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 N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide (CID 3422640) is N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide is O=C(NC1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1cccnc1.
What is the InChIKey of N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The InChIKey is HTJCLEVCLFPZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N4O4/c18-16(19,20)15(25-12(28)9-2-1-7-24-8-9)13(29)27(14(30)26-15)10-3-5-11(6-4-10)31-17(21,22)23/h1-8H,(H,25,28)(H,26,30).
What are the key properties of N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide has a molecular weight of 448.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3422640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).