N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C17H18F3N3O2 — CID 78796215

IUPACN-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCN(CCO)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2/c1-2-23(9-10-24)16(25)14-7-4-8-21-15(14)22-13-6-3-5-12(11-13)17(18,19)20/h3-8,11,24H,2,9-10H2,1H3,(H,21,22)
InChIKeyLHBBZAWJKJCKBX-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.30
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 78796215) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID78796215
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCN(CCO)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2/c1-2-23(9-10-24)16(25)14-7-4-8-21-15(14)22-13-6-3-5-12(11-13)17(18,19)20/h3-8,11,24H,2,9-10H2,1H3,(H,21,22)
InChIKeyLHBBZAWJKJCKBX-UHFFFAOYSA-N
XLogP3.30
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 56509980
[2-(ethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2365493
2,2-dimethylpropanoyloxymethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 12673423
2-dimethoxyphosphoryl-1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]ethanone
CID 89290625
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 55932397
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 55958188
[2-(tert-butylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2363934
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
N-(2-hydroxyethyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486122
3-dimethylphosphorylpropyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 12669147
(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 55976721
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2373172

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 78796215) is N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is CCN(CCO)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is LHBBZAWJKJCKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-2-23(9-10-24)16(25)14-7-4-8-21-15(14)22-13-6-3-5-12(11-13)17(18,19)20/h3-8,11,24H,2,9-10H2,1H3,(H,21,22).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 78796215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).