N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide

C13H18F3N3O — CID 50949826

IUPACN-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H18F3N3O/c1-9(6-12(20)17-2)19(3)8-10-4-5-11(18-7-10)13(14,15)16/h4-5,7,9H,6,8H2,1-3H3,(H,17,20)
InChIKeyJOTMZUAQLAVBHN-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide

N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide (PubChem CID 50949826) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide
PubChem CID50949826
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H18F3N3O/c1-9(6-12(20)17-2)19(3)8-10-4-5-11(18-7-10)13(14,15)16/h4-5,7,9H,6,8H2,1-3H3,(H,17,20)
InChIKeyJOTMZUAQLAVBHN-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide 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-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide?
The IUPAC name of N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide (CID 50949826) is N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide.
What is the SMILES notation for N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide?
The canonical SMILES for N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide is CNC(=O)CC(C)N(C)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide?
The InChIKey is JOTMZUAQLAVBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-9(6-12(20)17-2)19(3)8-10-4-5-11(18-7-10)13(14,15)16/h4-5,7,9H,6,8H2,1-3H3,(H,17,20).
What are the key properties of N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide?
N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide has a molecular weight of 289.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-[[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanamide is sourced from PubChem (CID 50949826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).