N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

C16H23F3N4O2 — CID 23110958

IUPACN-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)c(NC(=O)CN2CCN(CCO)CC2)c(C)n1
InChIInChI=1S/C16H23F3N4O2/c1-11-9-13(16(17,18)19)15(12(2)20-11)21-14(25)10-23-5-3-22(4-6-23)7-8-24/h9,24H,3-8,10H2,1-2H3,(H,21,25)
InChIKeyMEZONTMQHXTGSZ-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.27
Rot. Bonds5

About N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (PubChem CID 23110958) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
PubChem CID23110958
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC NameN-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)c(NC(=O)CN2CCN(CCO)CC2)c(C)n1
InChIInChI=1S/C16H23F3N4O2/c1-11-9-13(16(17,18)19)15(12(2)20-11)21-14(25)10-23-5-3-22(4-6-23)7-8-24/h9,24H,3-8,10H2,1-2H3,(H,21,25)
InChIKeyMEZONTMQHXTGSZ-UHFFFAOYSA-N
XLogP1.27
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (CID 23110958) is N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is Cc1cc(C(F)(F)F)c(NC(=O)CN2CCN(CCO)CC2)c(C)n1.
What is the InChIKey of N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The InChIKey is MEZONTMQHXTGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-11-9-13(16(17,18)19)15(12(2)20-11)21-14(25)10-23-5-3-22(4-6-23)7-8-24/h9,24H,3-8,10H2,1-2H3,(H,21,25).
What are the key properties of N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide has a molecular weight of 360.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-4-(trifluoromethyl)-3-pyridinyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 23110958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).