N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide

C22H20F3N3O — CID 109212553

IUPACN-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C22H20F3N3O/c1-2-28(15-16-8-4-3-5-9-16)21(29)20-14-17(12-13-26-20)27-19-11-7-6-10-18(19)22(23,24)25/h3-14H,2,15H2,1H3,(H,26,27)
InChIKeyNNXQUGMCFXEHHB-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.51
Rot. Bonds6

About N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide

N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109212553) has the molecular formula C22H20F3N3O and a molecular weight of 399.42 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109212553
Molecular FormulaC22H20F3N3O
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C22H20F3N3O/c1-2-28(15-16-8-4-3-5-9-16)21(29)20-14-17(12-13-26-20)27-19-11-7-6-10-18(19)22(23,24)25/h3-14H,2,15H2,1H3,(H,26,27)
InChIKeyNNXQUGMCFXEHHB-UHFFFAOYSA-N
XLogP5.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109212519
N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
CID 109212563
methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109212562
N,N-diethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109216389
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109218783
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213332
N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109212489
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031
N-benzyl-N-ethyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108963299
N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide
CID 109210957
N-(2-fluorophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109220614

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109212553) is N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(Nc2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is NNXQUGMCFXEHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O/c1-2-28(15-16-8-4-3-5-9-16)21(29)20-14-17(12-13-26-20)27-19-11-7-6-10-18(19)22(23,24)25/h3-14H,2,15H2,1H3,(H,26,27).
What are the key properties of N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109212553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).