1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C15H18F3N5O — CID 34060297

IUPAC1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)c(C#N)c1C
InChIInChI=1S/C15H18F3N5O/c1-9-10(2)21-22-13(12(9)7-19)23-5-3-11(4-6-23)14(24)20-8-15(16,17)18/h11H,3-6,8H2,1-2H3,(H,20,24)
InChIKeyKLTMGEWVVPTPNO-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.86
Rot. Bonds3

About 1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 34060297) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID34060297
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)c(C#N)c1C
InChIInChI=1S/C15H18F3N5O/c1-9-10(2)21-22-13(12(9)7-19)23-5-3-11(4-6-23)14(24)20-8-15(16,17)18/h11H,3-6,8H2,1-2H3,(H,20,24)
InChIKeyKLTMGEWVVPTPNO-UHFFFAOYSA-N
XLogP1.86
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 34060297) is 1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)c(C#N)c1C.
What is the InChIKey of 1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is KLTMGEWVVPTPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-9-10(2)21-22-13(12(9)7-19)23-5-3-11(4-6-23)14(24)20-8-15(16,17)18/h11H,3-6,8H2,1-2H3,(H,20,24).
What are the key properties of 1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-5,6-dimethylpyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 34060297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).