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

C15H19F5N4O2 — CID 120811361

IUPAC3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ncccc1OCC(F)F
InChIInChI=1S/C15H19F5N4O2/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)
InChIKeyJNEWOXIAVQGHJK-UHFFFAOYSA-N
MW382.33 g/mol
LogP1.29
Rot. Bonds7

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

3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide (PubChem CID 120811361) has the molecular formula C15H19F5N4O2 and a molecular weight of 382.33 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
PubChem CID120811361
Molecular FormulaC15H19F5N4O2
Molecular Weight382.33 g/mol
Exact Mass382.14
IUPAC Name3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ncccc1OCC(F)F
InChIInChI=1S/C15H19F5N4O2/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)
InChIKeyJNEWOXIAVQGHJK-UHFFFAOYSA-N
XLogP1.29
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811360
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
3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 120889975
2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812343
6-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120812339
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813841
4-pyrazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120810575
4-(difluoromethylsulfanyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812560
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
3-(2-methylpropoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812115

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?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide (CID 120811361) is 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide is 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?
The InChIKey is JNEWOXIAVQGHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F5N4O2/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).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide?
3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide has a molecular weight of 382.33 g/mol, XLogP of 1.29, 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 is sourced from PubChem (CID 120811361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).