2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide

C17H15N5O2S — CID 23007657

IUPAC2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(C)c1C#N
InChIInChI=1S/C17H15N5O2S/c1-10-11(7-18)16(20)22-17(12(10)8-19)25-9-15(23)21-13-5-3-4-6-14(13)24-2/h3-6H,9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyHWPKSWJYHVILHV-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.45
Rot. Bonds5

About 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide

2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 23007657) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
PubChem CID23007657
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(C)c1C#N
InChIInChI=1S/C17H15N5O2S/c1-10-11(7-18)16(20)22-17(12(10)8-19)25-9-15(23)21-13-5-3-4-6-14(13)24-2/h3-6H,9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyHWPKSWJYHVILHV-UHFFFAOYSA-N
XLogP2.45
TPSA124.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide with MolForge

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Related Compounds

2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 23007639
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23007680
N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide
CID 23007666
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 23007649
2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3165643
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide
CID 31775871
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 24630972
2-[[6-amino-3,5-dicyano-4-(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)-2-pyridinyl]sulfanyl]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 53296210
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetamide
CID 7491574
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide (CID 23007657) is 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(C)c1C#N.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is HWPKSWJYHVILHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-10-11(7-18)16(20)22-17(12(10)8-19)25-9-15(23)21-13-5-3-4-6-14(13)24-2/h3-6H,9H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide?
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 353.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 23007657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).