N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide

C17H19F3N6O2 — CID 91631444

IUPACN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1nc(N2CCC(NC(=O)Cn3ncccc3=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H19F3N6O2/c1-11-22-13(17(18,19)20)9-14(23-11)25-7-4-12(5-8-25)24-15(27)10-26-16(28)3-2-6-21-26/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,24,27)
InChIKeyWUVXKRQTIKVGMU-UHFFFAOYSA-N
MW396.37 g/mol
LogP1.15
Rot. Bonds4

About N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide

N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 91631444) has the molecular formula C17H19F3N6O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID91631444
Molecular FormulaC17H19F3N6O2
Molecular Weight396.37 g/mol
Exact Mass396.15
IUPAC NameN-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1nc(N2CCC(NC(=O)Cn3ncccc3=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H19F3N6O2/c1-11-22-13(17(18,19)20)9-14(23-11)25-7-4-12(5-8-25)24-15(27)10-26-16(28)3-2-6-21-26/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,24,27)
InChIKeyWUVXKRQTIKVGMU-UHFFFAOYSA-N
XLogP1.15
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide (CID 91631444) is N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide is Cc1nc(N2CCC(NC(=O)Cn3ncccc3=O)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is WUVXKRQTIKVGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2/c1-11-22-13(17(18,19)20)9-14(23-11)25-7-4-12(5-8-25)24-15(27)10-26-16(28)3-2-6-21-26/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,24,27).
What are the key properties of N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 396.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 91631444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).