3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride

C15H21Cl2F5N4O2 — CID 120811360

IUPAC3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1ncccc1OCC(F)F
InChIInChI=1S/C15H19F5N4O2.2ClH/c16-12(17)9-26-10-2-1-3-22-13(10)14(25)23-8-11(15(18,19)20)24-6-4-21-5-7-24;;/h1-3,11-12,21H,4-9H2,(H,23,25);2*1H
InChIKeyPCOONRFQTHFGPW-UHFFFAOYSA-N
MW455.26 g/mol
LogP2.13
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride

3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride (PubChem CID 120811360) has the molecular formula C15H21Cl2F5N4O2 and a molecular weight of 455.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
PubChem CID120811360
Molecular FormulaC15H21Cl2F5N4O2
Molecular Weight455.26 g/mol
Exact Mass454.10
IUPAC Name3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1ncccc1OCC(F)F
InChIInChI=1S/C15H19F5N4O2.2ClH/c16-12(17)9-26-10-2-1-3-22-13(10)14(25)23-8-11(15(18,19)20)24-6-4-21-5-7-24;;/h1-3,11-12,21H,4-9H2,(H,23,25);2*1H
InChIKeyPCOONRFQTHFGPW-UHFFFAOYSA-N
XLogP2.13
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120811361
2-ethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811350
2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813289
4-(difluoromethylsulfanyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812560
2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812343
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120811758
6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811330
6-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120812339
5-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811854
3-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 120811604
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride (CID 120811360) is 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1ncccc1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride?
The InChIKey is PCOONRFQTHFGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F5N4O2.2ClH/c16-12(17)9-26-10-2-1-3-22-13(10)14(25)23-8-11(15(18,19)20)24-6-4-21-5-7-24;;/h1-3,11-12,21H,4-9H2,(H,23,25);2*1H.
What are the key properties of 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride?
3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride has a molecular weight of 455.26 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120811360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).