N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide

C16H17F2N3O — CID 109195143

IUPACN-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C16H17F2N3O/c1-16(2,3)21-15(22)14-7-5-11(9-19-14)20-13-6-4-10(17)8-12(13)18/h4-9,20H,1-3H3,(H,21,22)
InChIKeyLDFPJTVNCKINQR-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.63
Rot. Bonds3

About N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide

N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide (PubChem CID 109195143) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide
PubChem CID109195143
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C16H17F2N3O/c1-16(2,3)21-15(22)14-7-5-11(9-19-14)20-13-6-4-10(17)8-12(13)18/h4-9,20H,1-3H3,(H,21,22)
InChIKeyLDFPJTVNCKINQR-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109195085
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
5-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109198177
5-(2,4-difluoroanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199705
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109198012
N-(3-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109199191
5-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200219
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
N-(2,4-difluorophenyl)-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200283
N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674
N-tert-butyl-5-hydrazinylpyridine-2-carboxamide
CID 104642324
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide (CID 109195143) is N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide is CC(C)(C)NC(=O)c1ccc(Nc2ccc(F)cc2F)cn1.
What is the InChIKey of N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide?
The InChIKey is LDFPJTVNCKINQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-16(2,3)21-15(22)14-7-5-11(9-19-14)20-13-6-4-10(17)8-12(13)18/h4-9,20H,1-3H3,(H,21,22).
What are the key properties of N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide?
N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109195143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).