2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C13H17F3N4O — CID 79875880

IUPAC2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(F)(F)F)ccc2C(N)=O)C(C)CN1
InChIInChI=1S/C13H17F3N4O/c1-7-6-20(8(2)5-18-7)12-9(11(17)21)3-4-10(19-12)13(14,15)16/h3-4,7-8,18H,5-6H2,1-2H3,(H2,17,21)
InChIKeyKMWJJQWVYTUPMO-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.39
Rot. Bonds2

About 2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875880) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875880
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(F)(F)F)ccc2C(N)=O)C(C)CN1
InChIInChI=1S/C13H17F3N4O/c1-7-6-20(8(2)5-18-7)12-9(11(17)21)3-4-10(19-12)13(14,15)16/h3-4,7-8,18H,5-6H2,1-2H3,(H2,17,21)
InChIKeyKMWJJQWVYTUPMO-UHFFFAOYSA-N
XLogP1.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875880) is 2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is CC1CN(c2nc(C(F)(F)F)ccc2C(N)=O)C(C)CN1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KMWJJQWVYTUPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-7-6-20(8(2)5-18-7)12-9(11(17)21)3-4-10(19-12)13(14,15)16/h3-4,7-8,18H,5-6H2,1-2H3,(H2,17,21).
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).