2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide

C20H28F3N5O — CID 153376759

IUPAC2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(C)N2CCCCC2)[nH]n1.Cc1cc(C)nc(C(F)(F)F)c1
InChIInChI=1S/C12H20N4O.C8H8F3N/c1-9(16-6-4-3-5-7-16)11-8-12(15-14-11)13-10(2)17;1-5-3-6(2)12-7(4-5)8(9,10)11/h8-9H,3-7H2,1-2H3,(H2,13,14,15,17);3-4H,1-2H3
InChIKeyOPIRAVOOHTUWOU-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.63
Rot. Bonds3

About 2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide

2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 153376759) has the molecular formula C20H28F3N5O and a molecular weight of 411.47 g/mol. Its IUPAC name is 2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide
PubChem CID153376759
Molecular FormulaC20H28F3N5O
Molecular Weight411.47 g/mol
Exact Mass411.22
IUPAC Name2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(C)N2CCCCC2)[nH]n1.Cc1cc(C)nc(C(F)(F)F)c1
InChIInChI=1S/C12H20N4O.C8H8F3N/c1-9(16-6-4-3-5-7-16)11-8-12(15-14-11)13-10(2)17;1-5-3-6(2)12-7(4-5)8(9,10)11/h8-9H,3-7H2,1-2H3,(H2,13,14,15,17);3-4H,1-2H3
InChIKeyOPIRAVOOHTUWOU-UHFFFAOYSA-N
XLogP4.63
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide (CID 153376759) is 2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1cc(C(C)N2CCCCC2)[nH]n1.Cc1cc(C)nc(C(F)(F)F)c1.
What is the InChIKey of 2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is OPIRAVOOHTUWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.C8H8F3N/c1-9(16-6-4-3-5-7-16)11-8-12(15-14-11)13-10(2)17;1-5-3-6(2)12-7(4-5)8(9,10)11/h8-9H,3-7H2,1-2H3,(H2,13,14,15,17);3-4H,1-2H3.
What are the key properties of 2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide?
2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 411.47 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(trifluoromethyl)pyridine;N-[5-(1-piperidin-1-ylethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 153376759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).