N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide

C26H24ClF3N4O2 — CID 68738553

IUPACN-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C26H24ClF3N4O2/c27-22-3-1-2-18(16-22)10-11-31-24(35)20-6-9-23(32-17-20)33-12-14-34(15-13-33)25(36)19-4-7-21(8-5-19)26(28,29)30/h1-9,16-17H,10-15H2,(H,31,35)
InChIKeyMWEDOEAHMZIEAA-UHFFFAOYSA-N
MW516.95 g/mol
LogP4.69
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 68738553) has the molecular formula C26H24ClF3N4O2 and a molecular weight of 516.95 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID68738553
Molecular FormulaC26H24ClF3N4O2
Molecular Weight516.95 g/mol
Exact Mass516.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C26H24ClF3N4O2/c27-22-3-1-2-18(16-22)10-11-31-24(35)20-6-9-23(32-17-20)33-12-14-34(15-13-33)25(36)19-4-7-21(8-5-19)26(28,29)30/h1-9,16-17H,10-15H2,(H,31,35)
InChIKeyMWEDOEAHMZIEAA-UHFFFAOYSA-N
XLogP4.69
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.95
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentyl-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68737275
N-(3-phenylpropyl)-6-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68736593
N-(2-ethylsulfanylethyl)-6-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68739731
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
CID 159898976
N-[2-(3-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102553
N-[6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42856885
6-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 68737482
1-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46053555
N-[2-(3-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041990
6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 68738018
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide (CID 68738553) is N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide is O=C(NCCc1cccc(Cl)c1)c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is MWEDOEAHMZIEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N4O2/c27-22-3-1-2-18(16-22)10-11-31-24(35)20-6-9-23(32-17-20)33-12-14-34(15-13-33)25(36)19-4-7-21(8-5-19)26(28,29)30/h1-9,16-17H,10-15H2,(H,31,35).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 516.95 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68738553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).