N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide

C12H12N6O2S — CID 4917705

IUPACN-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2nonc2N)n1
InChIInChI=1S/C12H12N6O2S/c1-6-3-7(2)15-12(8(6)4-13)21-5-9(19)16-11-10(14)17-20-18-11/h3H,5H2,1-2H3,(H2,14,17)(H,16,18,19)
InChIKeyADGKBWPDSDKNMX-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.27
Rot. Bonds4

About N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 4917705) has the molecular formula C12H12N6O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID4917705
Molecular FormulaC12H12N6O2S
Molecular Weight304.34 g/mol
Exact Mass304.07
IUPAC NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2nonc2N)n1
InChIInChI=1S/C12H12N6O2S/c1-6-3-7(2)15-12(8(6)4-13)21-5-9(19)16-11-10(14)17-20-18-11/h3H,5H2,1-2H3,(H2,14,17)(H,16,18,19)
InChIKeyADGKBWPDSDKNMX-UHFFFAOYSA-N
XLogP1.27
TPSA130.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide (CID 4917705) is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide is Cc1cc(C)c(C#N)c(SCC(=O)Nc2nonc2N)n1.
What is the InChIKey of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is ADGKBWPDSDKNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S/c1-6-3-7(2)15-12(8(6)4-13)21-5-9(19)16-11-10(14)17-20-18-11/h3H,5H2,1-2H3,(H2,14,17)(H,16,18,19).
What are the key properties of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide?
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 304.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 4917705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).