5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide

C42H42F6N8O6 — CID 165082493

IUPAC5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2C[C@H](CC(F)(F)F)CC[C@@H]2c2ccccc2)c1.NC(=O)c1cncc(NC(=O)C(=O)N2C[C@H](CC(F)(F)F)CC[C@H]2c2ccccc2)c1
InChIInChI=1S/2C21H21F3N4O3/c2*22-21(23,24)9-13-6-7-17(14-4-2-1-3-5-14)28(12-13)20(31)19(30)27-16-8-15(18(25)29)10-26-11-16/h2*1-5,8,10-11,13,17H,6-7,9,12H2,(H2,25,29)(H,27,30)/t13-,17+;13-,17-/m00/s1
InChIKeyVIURAGGBCFUBTD-NAVKWWPZSA-N
MW868.84 g/mol
LogP6.10
Rot. Bonds8

About 5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide

5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (PubChem CID 165082493) has the molecular formula C42H42F6N8O6 and a molecular weight of 868.84 g/mol. Its IUPAC name is 5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
PubChem CID165082493
Molecular FormulaC42H42F6N8O6
Molecular Weight868.84 g/mol
Exact Mass868.31
IUPAC Name5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2C[C@H](CC(F)(F)F)CC[C@@H]2c2ccccc2)c1.NC(=O)c1cncc(NC(=O)C(=O)N2C[C@H](CC(F)(F)F)CC[C@H]2c2ccccc2)c1
InChIInChI=1S/2C21H21F3N4O3/c2*22-21(23,24)9-13-6-7-17(14-4-2-1-3-5-14)28(12-13)20(31)19(30)27-16-8-15(18(25)29)10-26-11-16/h2*1-5,8,10-11,13,17H,6-7,9,12H2,(H2,25,29)(H,27,30)/t13-,17+;13-,17-/m00/s1
InChIKeyVIURAGGBCFUBTD-NAVKWWPZSA-N
XLogP6.10
TPSA210.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.84
LogP ≤ 56.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

5-[[2-[(2S,5R)-5-methyl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753284
5-[[2-[(2S,5R)-5-fluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752106
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588
5-[[2-[(2S,5R)-5-methyl-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751359
5-[[2-[(5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034359
[4-[(2R,5S)-1-[2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164752749
5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034329
5-[[2-[(2R,5S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753556
5-[[2-[(2S,5R)-2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750589
5-[[2-[(2S,5R)-2-(3,4-dimethoxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753537
2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382932
5-[[2-[(2S,5R)-2-(3-chloro-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753165

Frequently Asked Questions

What is the IUPAC name of 5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (CID 165082493) is 5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is NC(=O)c1cncc(NC(=O)C(=O)N2C[C@H](CC(F)(F)F)CC[C@@H]2c2ccccc2)c1.NC(=O)c1cncc(NC(=O)C(=O)N2C[C@H](CC(F)(F)F)CC[C@H]2c2ccccc2)c1.
What is the InChIKey of 5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The InChIKey is VIURAGGBCFUBTD-NAVKWWPZSA-N. The full InChI is InChI=1S/2C21H21F3N4O3/c2*22-21(23,24)9-13-6-7-17(14-4-2-1-3-5-14)28(12-13)20(31)19(30)27-16-8-15(18(25)29)10-26-11-16/h2*1-5,8,10-11,13,17H,6-7,9,12H2,(H2,25,29)(H,27,30)/t13-,17+;13-,17-/m00/s1.
What are the key properties of 5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide has a molecular weight of 868.84 g/mol, XLogP of 6.10, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 165082493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).