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

C18H15N5O2S — CID 23007666

IUPACN-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(N)c(C#N)c(C)c2C#N)cc1
InChIInChI=1S/C18H15N5O2S/c1-10-14(7-19)17(21)23-18(15(10)8-20)26-9-16(25)22-13-5-3-12(4-6-13)11(2)24/h3-6H,9H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyATQZBXWJRZTXCZ-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.65
Rot. Bonds5

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

N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 23007666) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID23007666
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(N)c(C#N)c(C)c2C#N)cc1
InChIInChI=1S/C18H15N5O2S/c1-10-14(7-19)17(21)23-18(15(10)8-20)26-9-16(25)22-13-5-3-12(4-6-13)11(2)24/h3-6H,9H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyATQZBXWJRZTXCZ-UHFFFAOYSA-N
XLogP2.65
TPSA132.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 23007649
N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 609573
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-(2-methoxyphenyl)acetamide
CID 23007657
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 911685
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoic acid
CID 2393766
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23007680
N-(4-acetamidophenyl)-2-[[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethyl-2-pyridinyl]sulfanyl]acetamide
CID 3288798
methyl 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate
CID 1117459
N-(4-chlorophenyl)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 33227919

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide (CID 23007666) is N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2nc(N)c(C#N)c(C)c2C#N)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is ATQZBXWJRZTXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-10-14(7-19)17(21)23-18(15(10)8-20)26-9-16(25)22-13-5-3-12(4-6-13)11(2)24/h3-6H,9H2,1-2H3,(H2,21,23)(H,22,25).
What are the key properties of N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 365.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 23007666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).