N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C11H14F3N3O — CID 113265555

IUPACN-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCNCCNC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c1-2-15-5-6-16-10(18)9-4-3-8(7-17-9)11(12,13)14/h3-4,7,15H,2,5-6H2,1H3,(H,16,18)
InChIKeyNQVZFJAQQLBVNX-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.44
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 113265555) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID113265555
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCNCCNC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c1-2-15-5-6-16-10(18)9-4-3-8(7-17-9)11(12,13)14/h3-4,7,15H,2,5-6H2,1H3,(H,16,18)
InChIKeyNQVZFJAQQLBVNX-UHFFFAOYSA-N
XLogP1.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113368697
N-(6-iodohexyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107848615
N-(4-bromopentyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106130786
N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103843189
N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909276
N-(4-amino-4-sulfanylidenebutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908481
N-[3-(2-chloroethoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106306680
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
N-[(4-hydroxyphenyl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577921
N-[(E)-4-chlorobut-2-enyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909073

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 113265555) is N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CCNCCNC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NQVZFJAQQLBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-2-15-5-6-16-10(18)9-4-3-8(7-17-9)11(12,13)14/h3-4,7,15H,2,5-6H2,1H3,(H,16,18).
What are the key properties of N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 113265555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).