N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H21F3N4O2 — CID 119394322

IUPACN-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)11-24-14-12(3-1-4-21-14)13(23)20-5-2-8-22-9-6-19-7-10-22/h1,3-4,19H,2,5-11H2,(H,20,23)
InChIKeyPLEPETAGWJRPAZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.05
Rot. Bonds7

About N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 119394322) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID119394322
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)11-24-14-12(3-1-4-21-14)13(23)20-5-2-8-22-9-6-19-7-10-22/h1,3-4,19H,2,5-11H2,(H,20,23)
InChIKeyPLEPETAGWJRPAZ-UHFFFAOYSA-N
XLogP1.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)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

Related Compounds

2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313
N-(3-propan-2-yloxypropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86926030
N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119428934
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 119514467
N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119393326
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43443470
N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500520
2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390823

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 119394322) is N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCCCN1CCNCC1)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is PLEPETAGWJRPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c16-15(17,18)11-24-14-12(3-1-4-21-14)13(23)20-5-2-8-22-9-6-19-7-10-22/h1,3-4,19H,2,5-11H2,(H,20,23).
What are the key properties of N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 119394322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).