N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide

C14H15N3OS — CID 112555487

IUPACN-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide
SMILESCc1cc(N)cnc1NC(=O)CSc1ccccc1
InChIInChI=1S/C14H15N3OS/c1-10-7-11(15)8-16-14(10)17-13(18)9-19-12-5-3-2-4-6-12/h2-8H,9,15H2,1H3,(H,16,17,18)
InChIKeyWGAGYMKUJLSBHS-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.70
Rot. Bonds4

About N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide

N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide (PubChem CID 112555487) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide
PubChem CID112555487
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide
SMILESCc1cc(N)cnc1NC(=O)CSc1ccccc1
InChIInChI=1S/C14H15N3OS/c1-10-7-11(15)8-16-14(10)17-13(18)9-19-12-5-3-2-4-6-12/h2-8H,9,15H2,1H3,(H,16,17,18)
InChIKeyWGAGYMKUJLSBHS-UHFFFAOYSA-N
XLogP2.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-3-phenylpropanamide
CID 112555372
N-(5-amino-3-methyl-2-pyridinyl)propanamide
CID 112555431
N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide
CID 112555256
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
CID 3910053
N-(5-amino-3-methyl-2-pyridinyl)-4-methoxybutanamide
CID 112555420
N-(5-amino-3-methyl-2-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 115910719
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032
2-(3-aminophenyl)sulfanyl-N-phenylacetamide
CID 18894236
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-phenylsulfanylacetohydrazide
CID 7037418
N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide
CID 71900557
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide (CID 112555487) is N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide is Cc1cc(N)cnc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide?
The InChIKey is WGAGYMKUJLSBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-7-11(15)8-16-14(10)17-13(18)9-19-12-5-3-2-4-6-12/h2-8H,9,15H2,1H3,(H,16,17,18).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide?
N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide has a molecular weight of 273.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 112555487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).