3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide

C19H23F3N4O3 — CID 3721563

IUPAC3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C19H23F3N4O3/c20-19(21,22)18(24-15(27)9-8-13-5-2-1-3-6-13)16(28)26(17(29)25-18)12-14-7-4-10-23-11-14/h4,7,10-11,13H,1-3,5-6,8-9,12H2,(H,24,27)(H,25,29)
InChIKeyQJKFNFVWGVFUBU-UHFFFAOYSA-N
MW412.41 g/mol
LogP2.87
Rot. Bonds6

About 3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide

3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide (PubChem CID 3721563) has the molecular formula C19H23F3N4O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide
PubChem CID3721563
Molecular FormulaC19H23F3N4O3
Molecular Weight412.41 g/mol
Exact Mass412.17
IUPAC Name3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C19H23F3N4O3/c20-19(21,22)18(24-15(27)9-8-13-5-2-1-3-6-13)16(28)26(17(29)25-18)12-14-7-4-10-23-11-14/h4,7,10-11,13H,1-3,5-6,8-9,12H2,(H,24,27)(H,25,29)
InChIKeyQJKFNFVWGVFUBU-UHFFFAOYSA-N
XLogP2.87
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.87
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-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide
CID 41064433
3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide
CID 42578745
N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 2220199
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 7044627
N-[(4R)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41064341
3-cyclohexyl-N-[(4R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]propanamide
CID 11908029
N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
CID 42578742
3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
CID 43600543
N-[(4R)-1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 41062638
N-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129843
N-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129844
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide (CID 3721563) is 3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide is O=C(CCC1CCCCC1)NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O.
What is the InChIKey of 3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide?
The InChIKey is QJKFNFVWGVFUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3/c20-19(21,22)18(24-15(27)9-8-13-5-2-1-3-6-13)16(28)26(17(29)25-18)12-14-7-4-10-23-11-14/h4,7,10-11,13H,1-3,5-6,8-9,12H2,(H,24,27)(H,25,29).
What are the key properties of 3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide?
3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide has a molecular weight of 412.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]propanamide is sourced from PubChem (CID 3721563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).