5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide

C13H11F2N3OS — CID 81318925

IUPAC5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ccccc2SC(F)F)nc1
InChIInChI=1S/C13H11F2N3OS/c14-13(15)20-11-4-2-1-3-9(11)18-12(19)10-6-5-8(16)7-17-10/h1-7,13H,16H2,(H,18,19)
InChIKeyIRIKAXMVGREWOG-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.23
Rot. Bonds4

About 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide

5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide (PubChem CID 81318925) has the molecular formula C13H11F2N3OS and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
PubChem CID81318925
Molecular FormulaC13H11F2N3OS
Molecular Weight295.31 g/mol
Exact Mass295.06
IUPAC Name5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ccccc2SC(F)F)nc1
InChIInChI=1S/C13H11F2N3OS/c14-13(15)20-11-4-2-1-3-9(11)18-12(19)10-6-5-8(16)7-17-10/h1-7,13H,16H2,(H,18,19)
InChIKeyIRIKAXMVGREWOG-UHFFFAOYSA-N
XLogP3.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 81317409
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 62954887
5-amino-2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 28551481
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
5-amino-N-[2-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 81316970
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448
N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47321455
3-amino-N-[2-(difluoromethylsulfanyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806098
5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 113381839
N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
CID 26180912
N-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 36670976
N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 43616310

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide (CID 81318925) is 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide is Nc1ccc(C(=O)Nc2ccccc2SC(F)F)nc1.
What is the InChIKey of 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
The InChIKey is IRIKAXMVGREWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3OS/c14-13(15)20-11-4-2-1-3-9(11)18-12(19)10-6-5-8(16)7-17-10/h1-7,13H,16H2,(H,18,19).
What are the key properties of 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide?
5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 81318925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).