N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide

C21H18F3N3O — CID 109157654

IUPACN-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C21H18F3N3O/c1-2-27(13-14-6-4-3-5-7-14)21(28)15-8-11-18(25-12-15)26-17-10-9-16(22)19(23)20(17)24/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyRKKDGBYMDKPLEV-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.90
Rot. Bonds6

About N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide

N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (PubChem CID 109157654) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
PubChem CID109157654
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC NameN-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C21H18F3N3O/c1-2-27(13-14-6-4-3-5-7-14)21(28)15-8-11-18(25-12-15)26-17-10-9-16(22)19(23)20(17)24/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyRKKDGBYMDKPLEV-UHFFFAOYSA-N
XLogP4.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157649
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624
N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide
CID 109256739
N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109156594
N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109158740
N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109023020
N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180545
N-benzyl-N-ethyl-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109157599
N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide
CID 109171558
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109234812

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (CID 109157654) is N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The InChIKey is RKKDGBYMDKPLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-2-27(13-14-6-4-3-5-7-14)21(28)15-8-11-18(25-12-15)26-17-10-9-16(22)19(23)20(17)24/h3-12H,2,13H2,1H3,(H,25,26).
What are the key properties of N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 4.90, 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-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109157654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).