N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C24H29F3N4O2 — CID 72703846

IUPACN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(C(F)(F)F)c3)c2)CC1
InChIInChI=1S/C24H29F3N4O2/c1-23(2,3)30-22(33)17-7-9-31(10-8-17)15-16-5-4-6-20(11-16)29-21(32)18-12-19(14-28-13-18)24(25,26)27/h4-6,11-14,17H,7-10,15H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyTULARJHXONUZOE-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.48
Rot. Bonds5

About N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 72703846) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID72703846
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC NameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(C(F)(F)F)c3)c2)CC1
InChIInChI=1S/C24H29F3N4O2/c1-23(2,3)30-22(33)17-7-9-31(10-8-17)15-16-5-4-6-20(11-16)29-21(32)18-12-19(14-28-13-18)24(25,26)27/h4-6,11-14,17H,7-10,15H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyTULARJHXONUZOE-UHFFFAOYSA-N
XLogP4.48
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 72703846) is N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide is CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(C(F)(F)F)c3)c2)CC1.
What is the InChIKey of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is TULARJHXONUZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-23(2,3)30-22(33)17-7-9-31(10-8-17)15-16-5-4-6-20(11-16)29-21(32)18-12-19(14-28-13-18)24(25,26)27/h4-6,11-14,17H,7-10,15H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 72703846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).