3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide

C13H13N3OS — CID 171387328

IUPAC3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide
SMILESCSc1cccc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C13H13N3OS/c1-18-12-7-3-6-11(16-12)15-10-5-2-4-9(8-10)13(14)17/h2-8H,1H3,(H2,14,17)(H,15,16)
InChIKeyBESVJYPMDKFGPI-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.65
Rot. Bonds4

About 3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide

3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide (PubChem CID 171387328) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide
PubChem CID171387328
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide
SMILESCSc1cccc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C13H13N3OS/c1-18-12-7-3-6-11(16-12)15-10-5-2-4-9(8-10)13(14)17/h2-8H,1H3,(H2,14,17)(H,15,16)
InChIKeyBESVJYPMDKFGPI-UHFFFAOYSA-N
XLogP2.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide
CID 114047764
3-[(5-aminopyrazin-2-yl)amino]benzamide
CID 114003795
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
3-(methylamino)benzamide
CID 18727714
ethane;3-(methylamino)benzamide
CID 142071023
3-[[4-(3-hydroxy-4-methylanilino)pyrimidin-2-yl]amino]benzamide;hydrochloride
CID 57392873
1-[3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]ethanone
CID 71671574
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295
3-[(4-aminopyrimidin-2-yl)amino]benzamide
CID 107811877
3-hydrazinylbenzamide;hydrochloride
CID 90487444
3-[[4-(2-hydroxy-6-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 25138020

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide?
The IUPAC name of 3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide (CID 171387328) is 3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide.
What is the SMILES notation for 3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide?
The canonical SMILES for 3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide is CSc1cccc(Nc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide?
The InChIKey is BESVJYPMDKFGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-18-12-7-3-6-11(16-12)15-10-5-2-4-9(8-10)13(14)17/h2-8H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide?
3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide has a molecular weight of 259.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide is sourced from PubChem (CID 171387328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).