2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide

C19H19ClF3N3O2 — CID 4843275

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H19ClF3N3O2/c20-16-10-13(19(21,22)23)11-26(18(16)28)12-17(27)24-14-4-6-15(7-5-14)25-8-2-1-3-9-25/h4-7,10-11H,1-3,8-9,12H2,(H,24,27)
InChIKeyCOJPAUKTMQCCLC-UHFFFAOYSA-N
MW413.83 g/mol
LogP4.15
Rot. Bonds4

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 4843275) has the molecular formula C19H19ClF3N3O2 and a molecular weight of 413.83 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID4843275
Molecular FormulaC19H19ClF3N3O2
Molecular Weight413.83 g/mol
Exact Mass413.11
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H19ClF3N3O2/c20-16-10-13(19(21,22)23)11-26(18(16)28)12-17(27)24-14-4-6-15(7-5-14)25-8-2-1-3-9-25/h4-7,10-11H,1-3,8-9,12H2,(H,24,27)
InChIKeyCOJPAUKTMQCCLC-UHFFFAOYSA-N
XLogP4.15
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide
CID 17434871
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide
CID 2419542
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2460559
2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1-methylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide chloride
CID 16196111
5-chloro-N-(4-fluorophenyl)-6-hydroxynicotinamide
CID 47293680
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-phenylacetamide
CID 1534532
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 2451727
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridine-3-carboxamide
CID 24818046
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2569230
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2587567
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3907904
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide
CID 2098994

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 4843275) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is COJPAUKTMQCCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O2/c20-16-10-13(19(21,22)23)11-26(18(16)28)12-17(27)24-14-4-6-15(7-5-14)25-8-2-1-3-9-25/h4-7,10-11H,1-3,8-9,12H2,(H,24,27).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 413.83 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 4843275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).