N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide

C16H17F2N3O — CID 109239372

IUPACN-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2c(F)cccc2F)c1
InChIInChI=1S/C16H17F2N3O/c1-16(2,3)21-15(22)10-7-11(9-19-8-10)20-14-12(17)5-4-6-13(14)18/h4-9,20H,1-3H3,(H,21,22)
InChIKeyFAODPZFHOMKGDV-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.63
Rot. Bonds3

About N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide

N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide (PubChem CID 109239372) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide
PubChem CID109239372
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2c(F)cccc2F)c1
InChIInChI=1S/C16H17F2N3O/c1-16(2,3)21-15(22)10-7-11(9-19-8-10)20-14-12(17)5-4-6-13(14)18/h4-9,20H,1-3H3,(H,21,22)
InChIKeyFAODPZFHOMKGDV-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

Analyze N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide 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

5-(2,6-difluoroanilino)pyridine-3-carboxylic acid
CID 82535068
N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109239319
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109246109
5-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109246460
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
CID 109239269
5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide
CID 109239305
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109239349
5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245567
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239083

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide (CID 109239372) is N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(Nc2c(F)cccc2F)c1.
What is the InChIKey of N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide?
The InChIKey is FAODPZFHOMKGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-16(2,3)21-15(22)10-7-11(9-19-8-10)20-14-12(17)5-4-6-13(14)18/h4-9,20H,1-3H3,(H,21,22).
What are the key properties of N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide?
N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-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-(2,6-difluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109239372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).