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

C11H9F3N4O3 — CID 662292

IUPACN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
SMILESCN1C(=O)NC(NC(=O)c2ccncc2)(C(F)(F)F)C1=O
InChIInChI=1S/C11H9F3N4O3/c1-18-8(20)10(11(12,13)14,17-9(18)21)16-7(19)6-2-4-15-5-3-6/h2-5H,1H3,(H,16,19)(H,17,21)
InChIKeyMKPDUYUPBFHKGJ-UHFFFAOYSA-N
MW302.21 g/mol
LogP0.25
Rot. Bonds2

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

N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide (PubChem CID 662292) has the molecular formula C11H9F3N4O3 and a molecular weight of 302.21 g/mol. Its IUPAC name is N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
PubChem CID662292
Molecular FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
Exact Mass302.06
IUPAC NameN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
SMILESCN1C(=O)NC(NC(=O)c2ccncc2)(C(F)(F)F)C1=O
InChIInChI=1S/C11H9F3N4O3/c1-18-8(20)10(11(12,13)14,17-9(18)21)16-7(19)6-2-4-15-5-3-6/h2-5H,1H3,(H,16,19)(H,17,21)
InChIKeyMKPDUYUPBFHKGJ-UHFFFAOYSA-N
XLogP0.25
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide (CID 662292) is N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide is CN1C(=O)NC(NC(=O)c2ccncc2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
The InChIKey is MKPDUYUPBFHKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3/c1-18-8(20)10(11(12,13)14,17-9(18)21)16-7(19)6-2-4-15-5-3-6/h2-5H,1H3,(H,16,19)(H,17,21).
What are the key properties of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide?
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide has a molecular weight of 302.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 662292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).