N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide

C21H19F2N3O — CID 109157649

IUPACN-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-8-11-20(24-13-16)25-19-10-9-17(22)12-18(19)23/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeyNHPRGSGRNRICMK-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.77
Rot. Bonds6

About N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide

N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide (PubChem CID 109157649) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
PubChem CID109157649
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC NameN-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-8-11-20(24-13-16)25-19-10-9-17(22)12-18(19)23/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeyNHPRGSGRNRICMK-UHFFFAOYSA-N
XLogP4.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109157654
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624
N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306869
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156252
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298
N-benzyl-N-ethyl-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109157599
N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161142
6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159765
N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109279773
N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180545
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide (CID 109157649) is N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)cc2F)nc1.
What is the InChIKey of N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide?
The InChIKey is NHPRGSGRNRICMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-8-11-20(24-13-16)25-19-10-9-17(22)12-18(19)23/h3-13H,2,14H2,1H3,(H,24,25).
What are the key properties of N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide?
N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 109157649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).