N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide

C21H19F3N4O2 — CID 17087890

IUPACN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O)c1cccnc1
InChIInChI=1S/C21H19F3N4O2/c22-21(23,24)20(27-18(29)15-9-6-12-25-13-15)19(30)28(16-10-4-5-11-16)17(26-20)14-7-2-1-3-8-14/h1-3,6-9,12-13,16H,4-5,10-11H2,(H,27,29)
InChIKeyWYYNKCQZRRQUPW-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.30
Rot. Bonds4

About N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide

N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide (PubChem CID 17087890) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide
PubChem CID17087890
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC NameN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O)c1cccnc1
InChIInChI=1S/C21H19F3N4O2/c22-21(23,24)20(27-18(29)15-9-6-12-25-13-15)19(30)28(16-10-4-5-11-16)17(26-20)14-7-2-1-3-8-14/h1-3,6-9,12-13,16H,4-5,10-11H2,(H,27,29)
InChIKeyWYYNKCQZRRQUPW-UHFFFAOYSA-N
XLogP3.30
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506287
4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506286
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
CID 16764273
N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide
CID 16762672
N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
CID 29074607
N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 51506909
N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 29098749
N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
CID 51505877
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide
CID 17344467
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
CID 17087889
N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide
CID 17344728
N-[5-oxo-2-phenyl-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazol-4-yl]acetamide
CID 4909296

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide (CID 17087890) is N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide is O=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O)c1cccnc1.
What is the InChIKey of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide?
The InChIKey is WYYNKCQZRRQUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c22-21(23,24)20(27-18(29)15-9-6-12-25-13-15)19(30)28(16-10-4-5-11-16)17(26-20)14-7-2-1-3-8-14/h1-3,6-9,12-13,16H,4-5,10-11H2,(H,27,29).
What are the key properties of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide?
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 17087890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).