N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride

C14H21Cl2F3N4O — CID 119393326

IUPACN-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCNCC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H19F3N4O.2ClH/c15-14(16,17)12-3-2-11(10-20-12)13(22)19-4-1-7-21-8-5-18-6-9-21;;/h2-3,10,18H,1,4-9H2,(H,19,22);2*1H
InChIKeyZEJJXFKIGKNJEY-UHFFFAOYSA-N
MW389.25 g/mol
LogP1.97
Rot. Bonds5

About N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride

N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119393326) has the molecular formula C14H21Cl2F3N4O and a molecular weight of 389.25 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119393326
Molecular FormulaC14H21Cl2F3N4O
Molecular Weight389.25 g/mol
Exact Mass388.10
IUPAC NameN-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCNCC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H19F3N4O.2ClH/c15-14(16,17)12-3-2-11(10-20-12)13(22)19-4-1-7-21-8-5-18-6-9-21;;/h2-3,10,18H,1,4-9H2,(H,19,22);2*1H
InChIKeyZEJJXFKIGKNJEY-UHFFFAOYSA-N
XLogP1.97
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride 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

N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39541337
6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 119392462
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 141363458
6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 58772630
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 75399276
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-(difluoromethylsulfanyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392818
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681
4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119393528
N-(3-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119392015

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride (CID 119393326) is N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCN1CCNCC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is ZEJJXFKIGKNJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O.2ClH/c15-14(16,17)12-3-2-11(10-20-12)13(22)19-4-1-7-21-8-5-18-6-9-21;;/h2-3,10,18H,1,4-9H2,(H,19,22);2*1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 389.25 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119393326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).