N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide

C16H18FN3O — CID 109195085

IUPACN-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Nc2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O/c1-16(2,3)20-15(21)14-9-8-11(10-18-14)19-13-7-5-4-6-12(13)17/h4-10,19H,1-3H3,(H,20,21)
InChIKeyCDWJQVACCUSQQS-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.49
Rot. Bonds3

About N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide

N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide (PubChem CID 109195085) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide
PubChem CID109195085
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Nc2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O/c1-16(2,3)20-15(21)14-9-8-11(10-18-14)19-13-7-5-4-6-12(13)17/h4-10,19H,1-3H3,(H,20,21)
InChIKeyCDWJQVACCUSQQS-UHFFFAOYSA-N
XLogP3.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109195143
N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109195159
N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189494
5-(2-fluoroanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188905
5-(tert-butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109195204
N-(4-acetylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198907
5-(2-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183927
5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109198899
N-(2,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109197955
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
N-(2,4-dichlorophenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198930
N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109194634

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide (CID 109195085) is N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide is CC(C)(C)NC(=O)c1ccc(Nc2ccccc2F)cn1.
What is the InChIKey of N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide?
The InChIKey is CDWJQVACCUSQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-16(2,3)20-15(21)14-9-8-11(10-18-14)19-13-7-5-4-6-12(13)17/h4-10,19H,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide?
N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.49, 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-fluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109195085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).