N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide

C17H18F3N3O — CID 3056258

IUPACN-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)NCC(=O)Nc1ccccn1
InChIInChI=1S/C17H18F3N3O/c1-12(9-13-5-4-6-14(10-13)17(18,19)20)22-11-16(24)23-15-7-2-3-8-21-15/h2-8,10,12,22H,9,11H2,1H3,(H,21,23,24)
InChIKeyYDERJTDGBHAYKI-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.26
Rot. Bonds6

About N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide

N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide (PubChem CID 3056258) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide
PubChem CID3056258
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)NCC(=O)Nc1ccccn1
InChIInChI=1S/C17H18F3N3O/c1-12(9-13-5-4-6-14(10-13)17(18,19)20)22-11-16(24)23-15-7-2-3-8-21-15/h2-8,10,12,22H,9,11H2,1H3,(H,21,23,24)
InChIKeyYDERJTDGBHAYKI-UHFFFAOYSA-N
XLogP3.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]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-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide?
The IUPAC name of N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide (CID 3056258) is N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide.
What is the SMILES notation for N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide?
The canonical SMILES for N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide is CC(Cc1cccc(C(F)(F)F)c1)NCC(=O)Nc1ccccn1.
What is the InChIKey of N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide?
The InChIKey is YDERJTDGBHAYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-12(9-13-5-4-6-14(10-13)17(18,19)20)22-11-16(24)23-15-7-2-3-8-21-15/h2-8,10,12,22H,9,11H2,1H3,(H,21,23,24).
What are the key properties of N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide?
N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide has a molecular weight of 337.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide is sourced from PubChem (CID 3056258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).