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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Related Compounds

N-(4-Trifluoromethylnicotinoyl)glycinamide
CID 76965321
N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146637370
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 146637411
Nicotinamide, N-(3-ethyl-5-ethylcarbamoylmethyl-4-oxo-2-thioxoimidazolidin-1-yl)-
CID 4034917
Niprofazone
CID 65619
N-(Pyridine-3-carbonyl)-Val-boroPro
CID 71655395
N-phenyl-N'-{[4-(trifluoromethyl)-3-pyridinyl]carbonyl}urea
CID 2727048
N-propyl-N'-{[4-(trifluoromethyl)-3-pyridinyl]carbonyl}urea
CID 2727054
N-[(1,1-Dimethyl-propylcarbamoyl)-methyl]-N-(4-fluoro-phenyl)-6-pyrrolidin-1-yl-nicotinamide
CID 3207265
N-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide
CID 3750844
N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 4325939
6-{[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)ethyl]amino}nicotinamide
CID 44560252

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).