2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide

C11H13F3N4O — CID 59522534

IUPAC2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1N1CCNCC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-2-1-7(9(15)19)10(17-8)18-5-3-16-4-6-18/h1-2,16H,3-6H2,(H2,15,19)
InChIKeyBWZBRPIVCYRJPK-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.61
Rot. Bonds2

About 2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide

2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 59522534) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID59522534
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1N1CCNCC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-2-1-7(9(15)19)10(17-8)18-5-3-16-4-6-18/h1-2,16H,3-6H2,(H2,15,19)
InChIKeyBWZBRPIVCYRJPK-UHFFFAOYSA-N
XLogP0.61
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 59522534) is 2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BWZBRPIVCYRJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)8-2-1-7(9(15)19)10(17-8)18-5-3-16-4-6-18/h1-2,16H,3-6H2,(H2,15,19).
What are the key properties of 2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59522534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).