N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C26H23ClF3N3O2 — CID 69188369

IUPACN-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C26H23ClF3N3O2/c1-16-2-3-19(14-22(16)32-24(34)20-6-9-23(31-15-20)26(28,29)30)25(35)33-12-10-18(11-13-33)17-4-7-21(27)8-5-17/h2-9,14-15,18H,10-13H2,1H3,(H,32,34)
InChIKeyWIPRESKETQYIIW-UHFFFAOYSA-N
MW501.94 g/mol
LogP6.33
Rot. Bonds4

About N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 69188369) has the molecular formula C26H23ClF3N3O2 and a molecular weight of 501.94 g/mol. Its IUPAC name is N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID69188369
Molecular FormulaC26H23ClF3N3O2
Molecular Weight501.94 g/mol
Exact Mass501.14
IUPAC NameN-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C26H23ClF3N3O2/c1-16-2-3-19(14-22(16)32-24(34)20-6-9-23(31-15-20)26(28,29)30)25(35)33-12-10-18(11-13-33)17-4-7-21(27)8-5-17/h2-9,14-15,18H,10-13H2,1H3,(H,32,34)
InChIKeyWIPRESKETQYIIW-UHFFFAOYSA-N
XLogP6.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.94
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 69188369) is N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1NC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WIPRESKETQYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N3O2/c1-16-2-3-19(14-22(16)32-24(34)20-6-9-23(31-15-20)26(28,29)30)25(35)33-12-10-18(11-13-33)17-4-7-21(27)8-5-17/h2-9,14-15,18H,10-13H2,1H3,(H,32,34).
What are the key properties of N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 501.94 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 69188369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).