N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H31F3N4O2 — CID 118521905

IUPACN-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1
InChIInChI=1S/C25H31F3N4O2/c1-2-3-4-13-29-23(33)19-11-14-32(15-12-19)17-18-7-5-8-20(16-18)30-24(34)21-9-6-10-22(31-21)25(26,27)28/h5-10,16,19H,2-4,11-15,17H2,1H3,(H,29,33)(H,30,34)
InChIKeyJZKIENITNGRNQZ-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.87
Rot. Bonds9

About N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118521905) has the molecular formula C25H31F3N4O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118521905
Molecular FormulaC25H31F3N4O2
Molecular Weight476.54 g/mol
Exact Mass476.24
IUPAC NameN-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1
InChIInChI=1S/C25H31F3N4O2/c1-2-3-4-13-29-23(33)19-11-14-32(15-12-19)17-18-7-5-8-20(16-18)30-24(34)21-9-6-10-22(31-21)25(26,27)28/h5-10,16,19H,2-4,11-15,17H2,1H3,(H,29,33)(H,30,34)
InChIKeyJZKIENITNGRNQZ-UHFFFAOYSA-N
XLogP4.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-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-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118521905) is N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCCCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CC1.
What is the InChIKey of N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JZKIENITNGRNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O2/c1-2-3-4-13-29-23(33)19-11-14-32(15-12-19)17-18-7-5-8-20(16-18)30-24(34)21-9-6-10-22(31-21)25(26,27)28/h5-10,16,19H,2-4,11-15,17H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(pentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118521905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).