N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide

C13H17F3N4O — CID 138001583

IUPACN-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccncc1C(F)(F)F
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)11-9-18-2-1-10(11)12(21)19-5-8-20-6-3-17-4-7-20/h1-2,9,17H,3-8H2,(H,19,21)
InChIKeyHVCZFMMQVWHVTD-UHFFFAOYSA-N
MW302.30 g/mol
LogP0.74
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide

N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 138001583) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID138001583
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccncc1C(F)(F)F
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)11-9-18-2-1-10(11)12(21)19-5-8-20-6-3-17-4-7-20/h1-2,9,17H,3-8H2,(H,19,21)
InChIKeyHVCZFMMQVWHVTD-UHFFFAOYSA-N
XLogP0.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119446542
N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 142421392
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 91180816
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 82622598
N-[2-(2-methylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 138004708
2-nitro-N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzamide
CID 119448305
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide (CID 138001583) is N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide is O=C(NCCN1CCNCC1)c1ccncc1C(F)(F)F.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is HVCZFMMQVWHVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)11-9-18-2-1-10(11)12(21)19-5-8-20-6-3-17-4-7-20/h1-2,9,17H,3-8H2,(H,19,21).
What are the key properties of N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide?
N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 138001583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).