N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide

C17H18F3N5O — CID 2741630

IUPACN-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
InChIInChI=1S/C17H18F3N5O/c1-12(26)23-14-3-5-16(22-11-14)25-8-6-24(7-9-25)15-4-2-13(10-21-15)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,23,26)
InChIKeyRTUKBQISLQNNNR-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.78
Rot. Bonds3

About N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide

N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide (PubChem CID 2741630) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide
PubChem CID2741630
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC NameN-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
InChIInChI=1S/C17H18F3N5O/c1-12(26)23-14-3-5-16(22-11-14)25-8-6-24(7-9-25)15-4-2-13(10-21-15)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,23,26)
InChIKeyRTUKBQISLQNNNR-UHFFFAOYSA-N
XLogP2.78
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide (CID 2741630) is N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1.
What is the InChIKey of N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide?
The InChIKey is RTUKBQISLQNNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-12(26)23-14-3-5-16(22-11-14)25-8-6-24(7-9-25)15-4-2-13(10-21-15)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,23,26).
What are the key properties of N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide?
N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide has a molecular weight of 365.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 2741630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).