2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride

C15H21ClF3N5O2 — CID 120813656

IUPAC2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
SMILESCNC(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cn1.Cl
InChIInChI=1S/C15H20F3N5O2.ClH/c1-19-14(25)11-3-2-10(8-21-11)13(24)22-9-12(15(16,17)18)23-6-4-20-5-7-23;/h2-3,8,12,20H,4-7,9H2,1H3,(H,19,25)(H,22,24);1H
InChIKeyPNIJHCSRWJSYSF-UHFFFAOYSA-N
MW395.81 g/mol
LogP0.43
Rot. Bonds5

About 2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride

2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride (PubChem CID 120813656) has the molecular formula C15H21ClF3N5O2 and a molecular weight of 395.81 g/mol. Its IUPAC name is 2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
PubChem CID120813656
Molecular FormulaC15H21ClF3N5O2
Molecular Weight395.81 g/mol
Exact Mass395.13
IUPAC Name2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
SMILESCNC(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cn1.Cl
InChIInChI=1S/C15H20F3N5O2.ClH/c1-19-14(25)11-3-2-10(8-21-11)13(24)22-9-12(15(16,17)18)23-6-4-20-5-7-23;/h2-3,8,12,20H,4-7,9H2,1H3,(H,19,25)(H,22,24);1H
InChIKeyPNIJHCSRWJSYSF-UHFFFAOYSA-N
XLogP0.43
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811854
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 120812673
4-cyano-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813148
4-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812332
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
6-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811031
6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811330
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811165
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813533
4-(difluoromethylsulfanyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812560

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride?
The IUPAC name of 2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride (CID 120813656) is 2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride.
What is the SMILES notation for 2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride?
The canonical SMILES for 2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride is CNC(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cn1.Cl.
What is the InChIKey of 2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride?
The InChIKey is PNIJHCSRWJSYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2.ClH/c1-19-14(25)11-3-2-10(8-21-11)13(24)22-9-12(15(16,17)18)23-6-4-20-5-7-23;/h2-3,8,12,20H,4-7,9H2,1H3,(H,19,25)(H,22,24);1H.
What are the key properties of 2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride?
2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride has a molecular weight of 395.81 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride is sourced from PubChem (CID 120813656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).