N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide

C15H17F3N6O — CID 133340366

IUPACN-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)nn1
InChIInChI=1S/C15H17F3N6O/c1-19-14(25)10-2-3-12(23-22-10)24-6-4-9(5-7-24)13-20-8-11(21-13)15(16,17)18/h2-3,8-9H,4-7H2,1H3,(H,19,25)(H,20,21)
InChIKeyPEQWGUDFXIHVRW-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.96
Rot. Bonds3

About N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide

N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 133340366) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID133340366
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC NameN-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)nn1
InChIInChI=1S/C15H17F3N6O/c1-19-14(25)10-2-3-12(23-22-10)24-6-4-9(5-7-24)13-20-8-11(21-13)15(16,17)18/h2-3,8-9H,4-7H2,1H3,(H,19,25)(H,20,21)
InChIKeyPEQWGUDFXIHVRW-UHFFFAOYSA-N
XLogP1.96
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide (CID 133340366) is N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)nn1.
What is the InChIKey of N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is PEQWGUDFXIHVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-19-14(25)10-2-3-12(23-22-10)24-6-4-9(5-7-24)13-20-8-11(21-13)15(16,17)18/h2-3,8-9H,4-7H2,1H3,(H,19,25)(H,20,21).
What are the key properties of N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide?
N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 133340366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).