1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide

C24H28F3N3O4 — CID 26359449

IUPAC1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2cccc(OC(F)(F)F)c2)c1=O
InChIInChI=1S/C24H28F3N3O4/c1-3-29(4-2)23(33)20-15-30(17-9-5-6-10-17)14-19(21(20)31)22(32)28-13-16-8-7-11-18(12-16)34-24(25,26)27/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3,(H,28,32)
InChIKeyYIQBYEYBTQFKCI-UHFFFAOYSA-N
MW479.50 g/mol
LogP4.27
Rot. Bonds8

About 1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide

1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide (PubChem CID 26359449) has the molecular formula C24H28F3N3O4 and a molecular weight of 479.50 g/mol. Its IUPAC name is 1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
PubChem CID26359449
Molecular FormulaC24H28F3N3O4
Molecular Weight479.50 g/mol
Exact Mass479.20
IUPAC Name1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2cccc(OC(F)(F)F)c2)c1=O
InChIInChI=1S/C24H28F3N3O4/c1-3-29(4-2)23(33)20-15-30(17-9-5-6-10-17)14-19(21(20)31)22(32)28-13-16-8-7-11-18(12-16)34-24(25,26)27/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3,(H,28,32)
InChIKeyYIQBYEYBTQFKCI-UHFFFAOYSA-N
XLogP4.27
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 25290661
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24791261
5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42192459
5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26336152
1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42366923
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 29182663
N-[[4-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)phenyl]methyl]-3-(trifluoromethoxy)benzamide;hydrochloride
CID 140540796
1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid
CID 162542269
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 74246446
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide (CID 26359449) is 1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide is CCN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2cccc(OC(F)(F)F)c2)c1=O.
What is the InChIKey of 1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide?
The InChIKey is YIQBYEYBTQFKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4/c1-3-29(4-2)23(33)20-15-30(17-9-5-6-10-17)14-19(21(20)31)22(32)28-13-16-8-7-11-18(12-16)34-24(25,26)27/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3,(H,28,32).
What are the key properties of 1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide?
1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide has a molecular weight of 479.50 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 26359449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).