4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide

C19H19ClF3N5O2 — CID 133313306

IUPAC4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1
InChIInChI=1S/C19H19ClF3N5O2/c20-15-2-1-12(9-14(15)19(21,22)23)26-17(29)11-27-5-7-28(8-6-27)13-3-4-25-16(10-13)18(24)30/h1-4,9-10H,5-8,11H2,(H2,24,30)(H,26,29)
InChIKeyAWIXNEBEKLJYQB-UHFFFAOYSA-N
MW441.84 g/mol
LogP2.61
Rot. Bonds5

About 4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide

4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 133313306) has the molecular formula C19H19ClF3N5O2 and a molecular weight of 441.84 g/mol. Its IUPAC name is 4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID133313306
Molecular FormulaC19H19ClF3N5O2
Molecular Weight441.84 g/mol
Exact Mass441.12
IUPAC Name4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1
InChIInChI=1S/C19H19ClF3N5O2/c20-15-2-1-12(9-14(15)19(21,22)23)26-17(29)11-27-5-7-28(8-6-27)13-3-4-25-16(10-13)18(24)30/h1-4,9-10H,5-8,11H2,(H2,24,30)(H,26,29)
InChIKeyAWIXNEBEKLJYQB-UHFFFAOYSA-N
XLogP2.61
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690878
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 5090907
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31479408
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 5066273
2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 78832352
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 27246868
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 60501683
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-(4-methylphenyl)quinazolin-4-yl]piperazin-1-yl]acetamide
CID 166001009
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3239778
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetamide
CID 30740117
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 46630654
2-(3-amino-1,2,4-triazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 61016205

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide (CID 133313306) is 4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide is NC(=O)c1cc(N2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1.
What is the InChIKey of 4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is AWIXNEBEKLJYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2/c20-15-2-1-12(9-14(15)19(21,22)23)26-17(29)11-27-5-7-28(8-6-27)13-3-4-25-16(10-13)18(24)30/h1-4,9-10H,5-8,11H2,(H2,24,30)(H,26,29).
What are the key properties of 4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide?
4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 441.84 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 133313306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).