N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide

C18H17F3N4O2 — CID 166596002

IUPACN-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C2CC(=O)NC(c3cccnc3C(F)(F)F)C2)ccn1
InChIInChI=1S/C18H17F3N4O2/c1-10(26)24-15-8-11(4-6-22-15)12-7-14(25-16(27)9-12)13-3-2-5-23-17(13)18(19,20)21/h2-6,8,12,14H,7,9H2,1H3,(H,25,27)(H,22,24,26)
InChIKeyGMGSEFLLJCSDQC-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.19
Rot. Bonds3

About N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide

N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide (PubChem CID 166596002) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide
PubChem CID166596002
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC NameN-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C2CC(=O)NC(c3cccnc3C(F)(F)F)C2)ccn1
InChIInChI=1S/C18H17F3N4O2/c1-10(26)24-15-8-11(4-6-22-15)12-7-14(25-16(27)9-12)13-3-2-5-23-17(13)18(19,20)21/h2-6,8,12,14H,7,9H2,1H3,(H,25,27)(H,22,24,26)
InChIKeyGMGSEFLLJCSDQC-UHFFFAOYSA-N
XLogP3.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide (CID 166596002) is N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C2CC(=O)NC(c3cccnc3C(F)(F)F)C2)ccn1.
What is the InChIKey of N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide?
The InChIKey is GMGSEFLLJCSDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-10(26)24-15-8-11(4-6-22-15)12-7-14(25-16(27)9-12)13-3-2-5-23-17(13)18(19,20)21/h2-6,8,12,14H,7,9H2,1H3,(H,25,27)(H,22,24,26).
What are the key properties of N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide?
N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide has a molecular weight of 378.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166596002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).