N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide

C17H19F2N3O — CID 113036420

IUPACN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C17H19F2N3O/c1-3-11(4-2)17(23)22-16-8-6-13(10-20-16)21-15-7-5-12(18)9-14(15)19/h5-11,21H,3-4H2,1-2H3,(H,20,22,23)
InChIKeyJBYLAYOGZXPLAQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.48
Rot. Bonds6

About N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide

N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide (PubChem CID 113036420) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide
PubChem CID113036420
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C17H19F2N3O/c1-3-11(4-2)17(23)22-16-8-6-13(10-20-16)21-15-7-5-12(18)9-14(15)19/h5-11,21H,3-4H2,1-2H3,(H,20,22,23)
InChIKeyJBYLAYOGZXPLAQ-UHFFFAOYSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
CID 113021263
N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021840
2-ethyl-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]butanamide
CID 113034496
methyl 4-chloro-3-[[6-(2-ethylbutanoylamino)-3-pyridinyl]amino]benzoate
CID 113035445
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113036450
1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021903
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033078
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113036437
5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109198177
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide?
The IUPAC name of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide (CID 113036420) is N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide.
What is the SMILES notation for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide?
The canonical SMILES for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(Nc2ccc(F)cc2F)cn1.
What is the InChIKey of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide?
The InChIKey is JBYLAYOGZXPLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-3-11(4-2)17(23)22-16-8-6-13(10-20-16)21-15-7-5-12(18)9-14(15)19/h5-11,21H,3-4H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide?
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide has a molecular weight of 319.36 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide is sourced from PubChem (CID 113036420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).