N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide

C16H17F2N3O — CID 113037485

IUPACN-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C16H17F2N3O/c1-16(2,3)15(22)21-13-8-7-10(9-19-13)20-14-11(17)5-4-6-12(14)18/h4-9,20H,1-3H3,(H,19,21,22)
InChIKeyQEGLLGHGHIVSCV-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.09
Rot. Bonds3

About N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide

N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 113037485) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID113037485
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C16H17F2N3O/c1-16(2,3)15(22)21-13-8-7-10(9-19-13)20-14-11(17)5-4-6-12(14)18/h4-9,20H,1-3H3,(H,19,21,22)
InChIKeyQEGLLGHGHIVSCV-UHFFFAOYSA-N
XLogP4.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113037492
N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113033448
methyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]benzoate
CID 113035380
2-(4-chlorophenoxy)-N-[5-(2,6-difluoroanilino)-2-pyridinyl]acetamide
CID 113037511
N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113026364
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034745
2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide
CID 1452729
N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 58417149
2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
CID 110178309
2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
CID 113023141
N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 1452758
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034682

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide (CID 113037485) is N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(Nc2c(F)cccc2F)cn1.
What is the InChIKey of N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is QEGLLGHGHIVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-16(2,3)15(22)21-13-8-7-10(9-19-13)20-14-11(17)5-4-6-12(14)18/h4-9,20H,1-3H3,(H,19,21,22).
What are the key properties of N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 305.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113037485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).