N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide

C13H17F3N4O — CID 133418255

IUPACN-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C13H17F3N4O/c1-2-17-12(21)9-5-7-20(8-6-9)11-4-3-10(18-19-11)13(14,15)16/h3-4,9H,2,5-8H2,1H3,(H,17,21)
InChIKeyPSWUGJTUIOESRO-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.85
Rot. Bonds3

About N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide

N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 133418255) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID133418255
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C13H17F3N4O/c1-2-17-12(21)9-5-7-20(8-6-9)11-4-3-10(18-19-11)13(14,15)16/h3-4,9H,2,5-8H2,1H3,(H,17,21)
InChIKeyPSWUGJTUIOESRO-UHFFFAOYSA-N
XLogP1.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol
CID 133420791
cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 133433606
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide
CID 117090257
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46297885
1-(6-chloropyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 35440215
N-[2-(diethylamino)ethyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 29369092
[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate
CID 155168175
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]piperidin-2-one
CID 133420344
N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 133418255) is N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide is CCNC(=O)C1CCN(c2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is PSWUGJTUIOESRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-2-17-12(21)9-5-7-20(8-6-9)11-4-3-10(18-19-11)13(14,15)16/h3-4,9H,2,5-8H2,1H3,(H,17,21).
What are the key properties of N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 133418255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).