5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide

C13H13N3OS — CID 81317409

IUPAC5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc(N)cn1
InChIInChI=1S/C13H13N3OS/c1-18-12-5-3-2-4-10(12)16-13(17)11-7-6-9(14)8-15-11/h2-8H,14H2,1H3,(H,16,17)
InChIKeyZERNIQXSLZMXET-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.64
Rot. Bonds3

About 5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide

5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide (PubChem CID 81317409) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
PubChem CID81317409
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc(N)cn1
InChIInChI=1S/C13H13N3OS/c1-18-12-5-3-2-4-10(12)16-13(17)11-7-6-9(14)8-15-11/h2-8H,14H2,1H3,(H,16,17)
InChIKeyZERNIQXSLZMXET-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 113381839
5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 81318925
5-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 107643013
5-amino-N-[2-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 81316970
5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide
CID 61117272
6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 114036146
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 61117159
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107643075
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide
CID 90509597
N-(2-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666365

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide (CID 81317409) is 5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide is CSc1ccccc1NC(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide?
The InChIKey is ZERNIQXSLZMXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-18-12-5-3-2-4-10(12)16-13(17)11-7-6-9(14)8-15-11/h2-8H,14H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide?
5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 81317409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).