1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide

C25H30F3N3O4 — CID 25290661

IUPAC1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C25H30F3N3O4/c1-16(2)13-30(3)24(34)21-15-31(18-6-4-5-7-18)14-20(22(21)32)23(33)29-12-17-8-10-19(11-9-17)35-25(26,27)28/h8-11,14-16,18H,4-7,12-13H2,1-3H3,(H,29,33)
InChIKeyQQBKUCGLMKYYKE-UHFFFAOYSA-N
MW493.53 g/mol
LogP4.52
Rot. Bonds8

About 1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide

1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide (PubChem CID 25290661) has the molecular formula C25H30F3N3O4 and a molecular weight of 493.53 g/mol. Its IUPAC name is 1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
PubChem CID25290661
Molecular FormulaC25H30F3N3O4
Molecular Weight493.53 g/mol
Exact Mass493.22
IUPAC Name1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C25H30F3N3O4/c1-16(2)13-30(3)24(34)21-15-31(18-6-4-5-7-18)14-20(22(21)32)23(33)29-12-17-8-10-19(11-9-17)35-25(26,27)28/h8-11,14-16,18H,4-7,12-13H2,1-3H3,(H,29,33)
InChIKeyQQBKUCGLMKYYKE-UHFFFAOYSA-N
XLogP4.52
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42366923
1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 26359449
5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 42429564
3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 25290675
1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26339286
1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42471912
5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
3-N-butyl-1-cyclopentyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26356747
5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42192459
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 90342641
1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42212323

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide (CID 25290661) is 1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide is CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1=O.
What is the InChIKey of 1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide?
The InChIKey is QQBKUCGLMKYYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O4/c1-16(2)13-30(3)24(34)21-15-31(18-6-4-5-7-18)14-20(22(21)32)23(33)29-12-17-8-10-19(11-9-17)35-25(26,27)28/h8-11,14-16,18H,4-7,12-13H2,1-3H3,(H,29,33).
What are the key properties of 1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide?
1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide has a molecular weight of 493.53 g/mol, XLogP of 4.52, 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-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 25290661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).