N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide

C21H19ClFN3O — CID 109157624

IUPACN-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C21H19ClFN3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-8-11-20(24-13-16)25-17-9-10-19(23)18(22)12-17/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeyPIAVZPUUHQQGCJ-UHFFFAOYSA-N
MW383.85 g/mol
LogP5.28
Rot. Bonds6

About N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide

N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide (PubChem CID 109157624) has the molecular formula C21H19ClFN3O and a molecular weight of 383.85 g/mol. Its IUPAC name is N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
PubChem CID109157624
Molecular FormulaC21H19ClFN3O
Molecular Weight383.85 g/mol
Exact Mass383.12
IUPAC NameN-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C21H19ClFN3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-8-11-20(24-13-16)25-17-9-10-19(23)18(22)12-17/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeyPIAVZPUUHQQGCJ-UHFFFAOYSA-N
XLogP5.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.85
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109157654
N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157649
N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide
CID 109171558
N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
CID 109156379
N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109234812
N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide
CID 109282790
N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 109156302
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
1-N'-benzyl-1-N-(3-chloro-4-fluorophenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976566
N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233093

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide (CID 109157624) is N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide?
The InChIKey is PIAVZPUUHQQGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-8-11-20(24-13-16)25-17-9-10-19(23)18(22)12-17/h3-13H,2,14H2,1H3,(H,24,25).
What are the key properties of N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide?
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide has a molecular weight of 383.85 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 109157624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).