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

C14H15F3N4O3 — CID 662187

IUPACN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)CN1C(=O)NC(NC(=O)c2cccnc2)(C(F)(F)F)C1=O
InChIInChI=1S/C14H15F3N4O3/c1-8(2)7-21-11(23)13(14(15,16)17,20-12(21)24)19-10(22)9-4-3-5-18-6-9/h3-6,8H,7H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyFPBUFJDTLOMGGN-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.28
Rot. Bonds4

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

N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide (PubChem CID 662187) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
PubChem CID662187
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC NameN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)CN1C(=O)NC(NC(=O)c2cccnc2)(C(F)(F)F)C1=O
InChIInChI=1S/C14H15F3N4O3/c1-8(2)7-21-11(23)13(14(15,16)17,20-12(21)24)19-10(22)9-4-3-5-18-6-9/h3-6,8H,7H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyFPBUFJDTLOMGGN-UHFFFAOYSA-N
XLogP1.28
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.28
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-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide (CID 662187) is N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide is CC(C)CN1C(=O)NC(NC(=O)c2cccnc2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
The InChIKey is FPBUFJDTLOMGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-8(2)7-21-11(23)13(14(15,16)17,20-12(21)24)19-10(22)9-4-3-5-18-6-9/h3-6,8H,7H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide?
N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide has a molecular weight of 344.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 662187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).