2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide

C10H12N4OS — CID 5016817

IUPAC2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide
SMILESCN(C)c1ccnc(SCC(N)=O)c1C#N
InChIInChI=1S/C10H12N4OS/c1-14(2)8-3-4-13-10(7(8)5-11)16-6-9(12)15/h3-4H,6H2,1-2H3,(H2,12,15)
InChIKeyUNYKKJQQEVYTQE-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.60
Rot. Bonds4

About 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide

2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 5016817) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide
PubChem CID5016817
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide
SMILESCN(C)c1ccnc(SCC(N)=O)c1C#N
InChIInChI=1S/C10H12N4OS/c1-14(2)8-3-4-13-10(7(8)5-11)16-6-9(12)15/h3-4H,6H2,1-2H3,(H2,12,15)
InChIKeyUNYKKJQQEVYTQE-UHFFFAOYSA-N
XLogP0.60
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide (CID 5016817) is 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide is CN(C)c1ccnc(SCC(N)=O)c1C#N.
What is the InChIKey of 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is UNYKKJQQEVYTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14(2)8-3-4-13-10(7(8)5-11)16-6-9(12)15/h3-4H,6H2,1-2H3,(H2,12,15).
What are the key properties of 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide?
2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 236.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(dimethylamino)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 5016817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).